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ProtoCaller: Robust Automation of Binding Free Energy Calculations.
Suruzhon M, Senapathi T, Bodnarchuk MS, Viner R, Wall ID, Barnett CB, Naidoo KJ, Essex JW. Suruzhon M, et al. Among authors: wall id. J Chem Inf Model. 2020 Apr 27;60(4):1917-1921. doi: 10.1021/acs.jcim.9b01158. Epub 2020 Mar 26. J Chem Inf Model. 2020. PMID: 32092258
Enhancing Ligand and Protein Sampling Using Sequential Monte Carlo.
Suruzhon M, Bodnarchuk MS, Ciancetta A, Wall ID, Essex JW. Suruzhon M, et al. Among authors: wall id. J Chem Theory Comput. 2022 Jun 14;18(6):3894-3910. doi: 10.1021/acs.jctc.1c01198. Epub 2022 May 19. J Chem Theory Comput. 2022. PMID: 35588256 Free PMC article.
36 results