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Cyclin-dependent kinases 5 template: Useful for virtual screening., , , , и . Comput. Biol. Medicine, 42 (1): 106-111 (2012)Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4., , , , , , , , , и . J. Comput. Aided Mol. Des., 33 (12): 1011-1020 (2019)Lennard-Jones Potential and Dummy Atom Settings to Overcome the AUTODOCK Limitation in Treating Flexible Ring Systems., и . J. Chem. Inf. Model., 47 (4): 1481-1492 (2007)GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research., , , , , , , , , и 5 other автор(ы). BCB, стр. 43:1-43:10. ACM, (2020)AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings., , , и . J. Chem. Inf. Model., 61 (8): 3891-3898 (2021)Parallelizing Irregular Computations for Molecular Docking., , , , , и . IA3@SC, стр. 12-21. IEEE, (2020)Synergy of machine learning and density functional theory calculations for predicting experimental Lewis base affinity and Lewis polybase binding atoms., , , , , , и . J. Comput. Chem., 45 (18): 1552-1561 (июля 2024)Integrative modeling of the HIV-1 ribonucleoprotein complex., , , и . PLoS Comput. Biol., (2019)Evaluating the Energy Efficiency of OpenCL-accelerated AutoDock Molecular Docking., , , и . PDP, стр. 162-166. IEEE, (2020)Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19., , , , , , , , , и 41 other автор(ы). J. Chem. Inf. Model., 60 (12): 5832-5852 (2020)