C8856 Advanced Molecular Modelling Methods - Excercise
Faculty of ScienceSpring 2025
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Type of Completion: z (credit).
- Teacher(s)
- RNDr. Petr Kulhánek, Ph.D. (lecturer)
- Guaranteed by
- RNDr. Petr Kulhánek, Ph.D.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: RNDr. Petr Kulhánek, Ph.D.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Prerequisites
- Basic work in Linux environment. It is advisable to have completed C2110 UNIX Operating System and Programming Basics and C2115 Practical Introduction to Supercomputing.
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- The enzyme chorismate mutase or another system of the student's choice will be practically studied during the exercise.
- Learning outcomes
- The student will be able to study the system independently using molecular modelling tools.
- Syllabus
- Basic requirements for models of biomolecular systems * Limitation of experimental (X-ray, NMR, CryoEM) and predicted (AlphaFold2, ESM-Fold, RoseTTAFold2) structures * Ionizable groups and the effect of pH on the model * Docking of substrates into the active site * How to solvate biomolecular systems correctly * Types of water and ion models * Molecular dynamics (MD) of biomolecular systems * Analysis of MD trajectories * Hybrid QM/MM description of the active site of an enzymatic reaction * Calculation of reaction profiles * Study of reaction mechanisms
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- LEACH, Andrew R. Molecular modelling : principles and applications. 2nd ed. Harlow: Prentice Hall, 2001, xxiii, 744. ISBN 0582382106. info
- JENSEN, Frank. Introduction to computational chemistry. Third edition. Chichester: Wiley, 2017, xxii, 638. ISBN 9781118825990. info
- Teaching methods
- Work on the project in a computer lab with remote access.
- Assessment methods
- Discussion of project results, optional report
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
C8856 Advanced Molecular Modelling Methods - Excercise
Faculty of ScienceSpring 2024
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Type of Completion: z (credit).
- Teacher(s)
- RNDr. Petr Kulhánek, Ph.D. (lecturer)
- Guaranteed by
- RNDr. Petr Kulhánek, Ph.D.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: RNDr. Petr Kulhánek, Ph.D.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Timetable
- Mon 19. 2. to Sun 26. 5. Wed 10:00–10:50 C04/118
- Prerequisites
- Basic work in Linux environment. It is advisable to have completed C2110 UNIX Operating System and Programming Basics and C2115 Practical Introduction to Supercomputing.
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- The enzyme chorismate mutase or another system of the student's choice will be practically studied during the exercise.
- Learning outcomes
- The student will be able to study the system independently using molecular modelling tools.
- Syllabus
- Basic requirements for models of biomolecular systems * Limitation of experimental (X-ray, NMR, CryoEM) and predicted (AlphaFold2, ESM-Fold, RoseTTAFold2) structures * Ionizable groups and the effect of pH on the model * Docking of substrates into the active site * How to solvate biomolecular systems correctly * Types of water and ion models * Molecular dynamics (MD) of biomolecular systems * Analysis of MD trajectories * Hybrid QM/MM description of the active site of an enzymatic reaction * Calculation of reaction profiles * Study of reaction mechanisms
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- LEACH, Andrew R. Molecular modelling : principles and applications. 2nd ed. Harlow: Prentice Hall, 2001, xxiii, 744. ISBN 0582382106. info
- JENSEN, Frank. Introduction to computational chemistry. Third edition. Chichester: Wiley, 2017, xxii, 638. ISBN 9781118825990. info
- Teaching methods
- Work on the project in a computer lab with remote access.
- Assessment methods
- Discussion of project results, optional report
- Language of instruction
- Czech
- Further Comments
- Study Materials
The course can also be completed outside the examination period.
The course is taught annually.
C8856 Advanced Molecular Modelling Methods - Excercise
Faculty of ScienceSpring 2023
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Type of Completion: z (credit).
- Teacher(s)
- RNDr. Petr Kulhánek, Ph.D. (lecturer)
Mgr. Ivo Durník, Ph.D. (seminar tutor) - Guaranteed by
- RNDr. Petr Kulhánek, Ph.D.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: RNDr. Petr Kulhánek, Ph.D.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Timetable
- Wed 10:00–10:50 C04/118
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Learning outcomes
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
C8856 Advanced Molecular Modelling Methods - Excercise
Faculty of ScienceSpring 2022
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Type of Completion: z (credit).
- Teacher(s)
- RNDr. Petr Kulhánek, Ph.D. (lecturer)
Mgr. Ivo Durník, Ph.D. (seminar tutor) - Guaranteed by
- RNDr. Petr Kulhánek, Ph.D.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: RNDr. Petr Kulhánek, Ph.D.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Timetable
- Wed 10:00–10:50 C04/118
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Learning outcomes
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- Study Materials
The course can also be completed outside the examination period.
The course is taught annually.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2021
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Type of Completion: z (credit).
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
RNDr. Petr Kulhánek, Ph.D. (lecturer)
Mgr. Ing. Crina-Maria Ionescu, Ph.D. (assistant)
Sushil Kumar Mishra, Ph.D. (assistant) - Guaranteed by
- RNDr. Petr Kulhánek, Ph.D.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Timetable
- Mon 1. 3. to Fri 14. 5. Thu 11:00–11:50 C04/118
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Learning outcomes
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2020
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Type of Completion: z (credit).
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
RNDr. Petr Kulhánek, Ph.D. (lecturer)
Mgr. Ing. Crina-Maria Ionescu, Ph.D. (assistant)
Sushil Kumar Mishra, Ph.D. (assistant) - Guaranteed by
- RNDr. Petr Kulhánek, Ph.D.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Timetable
- Wed 10:00–10:50 C04/118
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Learning outcomes
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- Study Materials
The course can also be completed outside the examination period.
The course is taught annually.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2019
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Type of Completion: z (credit).
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer)
Mgr. Ing. Crina-Maria Ionescu, Ph.D. (assistant)
Sushil Kumar Mishra, Ph.D. (assistant) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of Sciencespring 2018
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Type of Completion: z (credit).
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer)
Mgr. Ing. Crina-Maria Ionescu, Ph.D. (assistant)
Sushil Kumar Mishra, Ph.D. (assistant) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- Study Materials
The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2017
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer)
Mgr. Ing. Crina-Maria Ionescu, Ph.D. (assistant)
Sushil Kumar Mishra, Ph.D. (assistant) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2016
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer)
Mgr. Ing. Crina-Maria Ionescu, Ph.D. (assistant)
Sushil Kumar Mishra, Ph.D. (assistant) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Timetable
- Fri 11:00–11:50 C04/118
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2015
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer)
Mgr. Ing. Crina-Maria Ionescu, Ph.D. (assistant)
Sushil Kumar Mishra, Ph.D. (assistant) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Timetable
- Fri 11:00–11:50 C04/118
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- Study Materials
The course can also be completed outside the examination period.
The course is taught annually.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2014
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer)
Mgr. Ing. Crina-Maria Ionescu, Ph.D. (assistant)
Sushil Kumar Mishra, Ph.D. (assistant) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Timetable
- Fri 11:00–11:50 C04/118
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- Study Materials
The course can also be completed outside the examination period.
The course is taught annually.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2013
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer)
Mgr. Ing. Crina-Maria Ionescu, Ph.D. (assistant)
Sushil Kumar Mishra, Ph.D. (assistant) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Timetable
- Fri 11:00–11:50 C04/118
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2012
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Timetable
- Fri 11:00–11:50 C04/118
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- there are 11 fields of study the course is directly associated with, display
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- Study Materials
The course can also be completed outside the examination period.
The course is taught annually.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2011
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc. - Timetable
- Thu 10:00–10:50 Kontaktujte učitele
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- there are 11 fields of study the course is directly associated with, display
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- Study Materials
The course can also be completed outside the examination period.
The course is taught annually.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2010
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc. - Timetable
- Fri 12:00–12:50 C04/211
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- there are 11 fields of study the course is directly associated with, display
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2009
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc. - Timetable
- Fri 10:00–10:50 C04/211
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- there are 11 fields of study the course is directly associated with, display
- Course objectives
- Independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2008
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc. - Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- there are 21 fields of study the course is directly associated with, display
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2007
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Zdeněk Kříž (lecturer), prof. RNDr. Jaroslav Koča, DrSc. (deputy) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc. - Timetable
- Tue 14:00–14:50 C04/211
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- there are 23 fields of study the course is directly associated with, display
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2006
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Zdeněk Kříž (lecturer), prof. RNDr. Jaroslav Koča, DrSc. (deputy) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc. - Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- there are 23 fields of study the course is directly associated with, display
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2005
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Zdeněk Kříž (lecturer), prof. RNDr. Jaroslav Koča, DrSc. (deputy) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc. - Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- there are 23 fields of study the course is directly associated with, display
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2004
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc. - Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
The capacity limit for the course is 5 student(s).
Current registration and enrolment status: enrolled: 0/5, only registered: 0/5, only registered with preference (fields directly associated with the programme): 0/5 - fields of study / plans the course is directly associated with
- there are 21 fields of study the course is directly associated with, display
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2003
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Zdeněk Kříž (lecturer), prof. RNDr. Jaroslav Koča, DrSc. (deputy) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc. - Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- there are 23 fields of study the course is directly associated with, display
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of Sciencespring 2012 - acreditation
The information about the term spring 2012 - acreditation is not made public
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc.
Supplier department: National Centre for Biomolecular Research – Faculty of Science - Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- there are 11 fields of study the course is directly associated with, display
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2011 - only for the accreditation
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc. - Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- there are 11 fields of study the course is directly associated with, display
- Course objectives
- At the end of the course students should be able to make independent project in advanced computational chemistry.
- Syllabus
- Student must choose a project in advanced computational chemistry and discuss it with teacher.
- Literature
- Encyclopedia of computational chemistry. Edited by Paul von R. Schleyer. Chichester: John Wiley & sons, 1998, xxix, 812. ISBN 047196588X. info
- Dle potreb projektu
- Teaching methods
- Student projects.
- Assessment methods
- Protocol, discussion about the project
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
C8856 Computational Chemistry and Molecular Modeling II seminar
Faculty of ScienceSpring 2008 - for the purpose of the accreditation
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: z (credit). Other types of completion: graded credit.
- Teacher(s)
- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Zdeněk Kříž, Ph.D. (lecturer) - Guaranteed by
- prof. RNDr. Jaroslav Koča, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Contact Person: prof. RNDr. Jaroslav Koča, DrSc. - Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- there are 21 fields of study the course is directly associated with, display
- Language of instruction
- Czech
- Further Comments
- The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
- Enrolment Statistics (Spring 2025, recent)