Searching CUDA code autotuning spaces with hardware performance counters: data from benchmarks running on various GPU architectures

por Hozzová, Jana, Filipovič, Jiří, Nezarat, Amin, Ol’ha, Jaroslav, Petrovič, Filip
Publicado 2021

Fast Screening of Inhibitor Binding/Unbinding Using Novel Software Tool CaverDock

por Pinto, Gaspar P., Vavra, Ondrej, Filipovic, Jiri, Stourac, Jan, Bednar, David, Damborsky, Jiri
Publicado 2019

Screening of world approved drugs against highly dynamical spike glycoprotein of SARS-CoV-2 using CaverDock and machine learning

por Pinto, Gaspar P., Vavra, Ondrej, Marques, Sergio M., Filipovic, Jiri, Bednar, David, Damborsky, Jiri
Publicado 2021

pyCaverDock: Python implementation of the popular tool for analysis of ligand transport with advanced caching and batch calculation support

por Vavra, Ondrej, Beranek, Jakub, Stourac, Jan, Surkovsky, Martin, Filipovic, Jiri, Damborsky, Jiri, Martinovic, Jan, Bednar, David
Publicado 2023

Caver Web 1.0: identification of tunnels and channels in proteins and analysis of ligand transport

por Stourac, Jan, Vavra, Ondrej, Kokkonen, Piia, Filipovic, Jiri, Pinto, Gaspar, Brezovsky, Jan, Damborsky, Jiri, Bednar, David
Publicado 2019

Approximating deformation fields for the analysis of continuous heterogeneity of biological macromolecules by 3D Zernike polynomials

por Herreros, David, Lederman, Roy R., Krieger, James, Jiménez-Moreno, Amaya, Martínez, Marta, Myška, David, Strelak, David, Filipovic, Jiri, Bahar, Ivet, Carazo, Jose Maria, Sanchez, Carlos Oscar S.
Publicado 2021

Advances in Xmipp for Cryo–Electron Microscopy: From Xmipp to Scipion

por Strelak, David, Jiménez-Moreno, Amaya, Vilas, José L., Ramírez-Aportela, Erney, Sánchez-García, Ruben, Maluenda, David, Vargas, Javier, Herreros, David, Fernández-Giménez, Estrella, de Isidro-Gómez, Federico P., Horacek, Jan, Myska, David, Horacek, Martin, Conesa, Pablo, Fonseca-Reyna, Yunior C., Jiménez, Jorge, Martínez, Marta, Harastani, Mohamad, Jonić, Slavica, Filipovic, Jiri, Marabini, Roberto, Carazo, José M., Sorzano, Carlos O. S.
Publicado 2021