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Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7.

, , , and . Adv. Bioinformatics, (2017)

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Tensor Train Global Optimization: Application to Docking in the Configuration Space with a Large Number of Dimensions., , , , , , and . RuSCDays, volume 793 of Communications in Computer and Information Science, page 151-167. Springer, (2017)Search for Approaches to Supercomputer Quantum-Chemical Docking., , , , , and . RuSCDays, volume 1129 of Communications in Computer and Information Science, page 363-378. Springer, (2019)Parallel Supercomputer Docking Program of the New Generation: Finding Low Energy Minima Spectrum., , and . RuSCDays, volume 965 of Communications in Computer and Information Science, page 314-330. Springer, (2018)Supercomputer Docking., , and . Supercomput. Front. Innov., 6 (3): 26-50 (2019)A Comparative Study of Different Optimization Algorithms for Molecular Docking., , , , , and . IWSG-Life, volume 819 of CEUR Workshop Proceedings, CEUR-WS.org, (2011)Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7., , , and . Adv. Bioinformatics, (2017)Application of the Docking Program SOL for CSAR Benchmark., , , , and . J. Chem. Inf. Model., 53 (8): 1946-1956 (2013)In Search of Non-covalent Inhibitors of SARS-CoV-2 Main Protease: Computer Aided Drug Design Using Docking and Quantum Chemistry., , , , , , and . Supercomput. Front. Innov., (2020)Evaluation of Docking Target Functions by the Comprehensive Investigation of Protein-Ligand Energy Minima., , , , , , and . Adv. Bioinformatics, (2015)High-performance atomistic modeling of optical thin films deposited by energetic processes., , , , , and . Int. J. High Perform. Comput. Appl., 29 (2): 184-192 (2015)