Caver Web 1.0: identification of tunnels and channels in proteins and analysis of ligand transport J Stourac, O Vavra, P Kokkonen, J Filipovic, G Pinto, J Brezovsky, ... Nucleic acids research 47 (W1), W414-W422, 2019 | 192 | 2019 |
Optimizing CUDA code by kernel fusion: application on BLAS J Filipovič, M Madzin, J Fousek, L Matyska The Journal of Supercomputing 71 (10), 3934-3957, 2015 | 97 | 2015 |
CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels O Vavra, J Filipovic, J Plhak, D Bednar, SM Marques, J Brezovsky, ... Bioinformatics 35 (23), 4986-4993, 2019 | 69 | 2019 |
CaverDock: a novel method for the fast analysis of ligand transport J Filipovič, O Vávra, J Plhák, D Bednář, SM Marques, J Brezovský, ... IEEE/ACM Transactions on Computational Biology and Bioinformatics 17 (5 …, 2019 | 49 | 2019 |
A benchmark set of highly-efficient CUDA and OpenCL kernels and its dynamic autotuning with Kernel Tuning Toolkit F Petrovič, D Střelák, J Hozzová, J Ol’ha, R Trembecký, S Benkner, ... Future Generation Computer Systems 108, 161-177, 2020 | 46 | 2020 |
Automatic fusions of CUDA-GPU kernels for parallel map J Fousek, J Filipovič, M Madzin ACM SIGARCH Computer Architecture News 39 (4), 98-99, 2011 | 40 | 2011 |
GPU Acceleration of equations assembly in finite elements method-preliminary results J Filipovic, I Peterlik, J Fousek SAAHPC: Symposium on Application Accelerators in HPC, 2009 | 33 | 2009 |
Advances in xmipp for cryo–electron microscopy: From xmipp to scipion D Strelak, A Jiménez-Moreno, JL Vilas, E Ramírez-Aportela, ... Molecules 26 (20), 6224, 2021 | 31 | 2021 |
Estimating conformational landscapes from Cryo-EM particles by 3D Zernike polynomials D Herreros, RR Lederman, JM Krieger, A Jiménez-Moreno, M Martínez, ... Nature Communications 14 (1), 154, 2023 | 29 | 2023 |
Distributed construction of configuration spaces for real-time haptic deformation modeling I Peterlik, J Filipovic IEEE Transactions on Industrial Electronics 58 (8), 3205-3212, 2009 | 28 | 2009 |
Fast screening of inhibitor binding/unbinding using novel software tool CaverDock GP Pinto, O Vavra, J Filipovic, J Stourac, D Bednar, J Damborsky Frontiers in Chemistry 7, 709, 2019 | 25 | 2019 |
Autotuning of OpenCL kernels with global optimizations J Filipovič, F Petrovič, S Benkner Proceedings of the 1st workshop on autotuning and aDaptivity approaches for …, 2017 | 25 | 2017 |
On bias, variance, overfitting, gold standard and consensus in single-particle analysis by cryo-electron microscopy COS Sorzano, A Jiménez-Moreno, D Maluenda, M Martínez, ... Acta Crystallographica Section D: Structural Biology 78 (4), 410-423, 2022 | 21 | 2022 |
Approximating deformation fields for the analysis of continuous heterogeneity of biological macromolecules by 3D Zernike polynomials D Herreros, RR Lederman, J Krieger, A Jiménez-Moreno, M Martínez, ... IUCrJ 8 (6), 992-1005, 2021 | 19 | 2021 |
DeepAlign, a 3D alignment method based on regionalized deep learning for Cryo-EM A Jiménez-Moreno, D Střelák, J Filipovič, JM Carazo, COS Sorzano Journal of Structural Biology 213 (2), 107712, 2021 | 19 | 2021 |
A GPU acceleration of 3-D Fourier reconstruction in cryo-EM D Střelák, CÓS Sorzano, JM Carazo, J Filipovič The International Journal of High Performance Computing Applications 33 (5 …, 2019 | 19 | 2019 |
OpenCL kernel fusion for GPU, Xeon Phi and CPU J Filipovic, S Benkner 2015 27th International Symposium on Computer Architecture and High …, 2015 | 18 | 2015 |
Performance analysis and autotuning setup of the cuFFT library D Střelák, J Filipovič Proceedings of the 2nd Workshop on AutotuniNg and aDaptivity AppRoaches for …, 2018 | 16 | 2018 |
Using hardware performance counters to speed up autotuning convergence on GPUs J Filipovič, J Hozzová, A Nezarat, J Oľha, F Petrovič Journal of Parallel and Distributed Computing 160, 16-35, 2021 | 15 | 2021 |
Screening of world approved drugs against highly dynamical spike glycoprotein of SARS-CoV-2 using CaverDock and machine learning GP Pinto, O Vavra, SM Marques, J Filipovic, D Bednar, J Damborsky Computational and Structural Biotechnology Journal 19, 3187-3197, 2021 | 15 | 2021 |