Přeskočit na horní lištu
Přeskočit na hlavičku
Přeskočit na obsah
Přeskočit na patičku
EN
>
Publikace
>
Vyhledávání publikací
Vyhledávání publikací
Pokročilé vyhledávání
Repozitář
Vybrané publikace/výsledky
Electrostatics' calculation parallel in time (2013)
Efficient Code Region Characterization Through Automatic Performance Counters Reduction Using Machine Learning Techniques (2024)
Convergence of Parareal Algorithm Applied on Molecular Dynamics Simulations (2014)
Optimizing CUDA code by kernel fusion: application on BLAS (2015)
Acceleration of dRMSD Calculation and Efficient Usage of GPU Caches (2015)
OpenCL Kernel Fusion for GPU, Xeon Phi and CPU (2015)
Nonlinear vs. linear biasing in Trp-cage folding simulations (2015)
Accurate Fitting SAXS Curves with NMR Structure Ensembles (2015)
NEEMP – nástroj pro parametrizaci EEM (2016)
Parametrizace ekvalizace elektronegativity metodou diferenciální evoluce (2016)
NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges (2016)
Guided Optimization Method for Fast and Accurate Atomic Charges Computation (2016)
Accelerated RMSD Calculation for Molecular Metadynamics (2016)
Reducing the number of mean-square deviation calculations with floating close structure in metadynamics (2017)
Direct SAXS Curve Fitting with an Ensable of Conformations (2016)
CaverDock 1.0 (2017)
Autotuning of OpenCL Kernels with Global Optimizations (2017)
Kernel Tuning Toolkit (2018)
Acceleration of Mean Square Distance Calculations with Floating Close Structure in Metadynamics Simulations (2018)
cuFFTAdvisor (2018)
Performance analysis and autotuning setup of the cuFFT library (2018)
A GPU acceleration of 3-D Fourier reconstruction in cryo-EM (2019)
CaverDock: A Novel Method for the Fast Analysis of Ligand Transport (2020)
CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels (2019)
Caver Web 1.0: identification of tunnels and channels in proteins and analysis of ligand transport (2019)
Exploiting historical data: pruning autotuning spaces and estimating the number of tuning steps (2019)
Fast Screening of Inhibitor Binding/Unbinding using Novel Software Tool CaverDock (2019)
A benchmark set of highly-efficient CUDA and OpenCL kernels and its dynamic autotuning with Kernel Tuning Toolkit (2020)
Caver web: identification of tunnels and channels in proteins and analysis of ligand transport (2019)
Exploiting historical data: Pruning autotuning spaces and estimating the number of tuning steps (2020)
FlexAlign: An Accurate and Fast Algorithm for Movie Alignment in Cryo-Electron Microscopy (2020)
Exploring Protein Folding Space with Neural Network Guided Simulations (2020)
4D-GRAPHS (2021)
DeepAlign, a 3D Alignment Method based on Regionalized Deep Learning for Cryo-EM (2021)
Simulation of Ligand Transport in Receptors Using CaverDock (2021)
Kernel Tuning Toolkit 2.0 (2021)
Image Processing in Cryo-Electron Microscopy of Single Particles: The Power of Combining Methods (2021)
Screening of world approved drugs against highly dynamical spike glycoprotein of SARS-CoV-2 using CaverDock and machine learning (2021)
Advances in Xmipp for Cryo–Electron Microscopy: From Xmipp to Scipion (2021)
Approximating deformation fields for the analysis of continuous heterogeneity of biological macromolecules by 3D Zernike polynomials (2021)
Using hardware performance counters to speed up autotuning convergence on GPUs (2022)
Searching CUDA code autotuning spaces with hardware performance counters: data from benchmarks running on various GPU architectures (2021)
Complex simulation workflows in containerized high-performance environment (2021)
Property Map Collective Variable as a Useful Tool for a Force Field Correction (2022)
On bias, variance, overfitting, gold standard and consensus in single-particle analysis by cryo-electron microscopy (2022)
Improving ligand transport trajectory within flexible receptor in CaverDock (2022)
Computational enzyme design for metabolic engineering (2021)
Estimating conformational landscapes from Cryo-EM particles by 3D Zernike polynomials (2023)
Kernel Tuning Toolkit (2023)
ZART: A Novel Multiresolution Reconstruction Algorithm with Motion-blur Correction for Single Particle Analysis (2023)
Umpalumpa: a framework for efficient execution of complex image processing workloads on heterogeneous nodes (2023)
Towards a Benchmarking Suite for Kernel Tuners (2023)
pyCaverDock: Python implementation of the popular tool for analysis of ligand transport with advanced caching and batch calculation support (2023)
A methodology for comparing optimization algorithms for auto-tuning (2024)
Towards Dynamic Autotuning of SpMV in CUSP Library (2024)
Parallel methods for calculation of long-range electrostatic interactions (2013)
Odebrat vše z výběru
Operace s vybranými výsledky
Export a tisk
Seznam vybraných záznamů
Další aplikace
Publikace
Informační systém
Přeskočit na horní lištuPřeskočit na hlavičkuPřeskočit na obsahPřeskočit na patičku
