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Ligand binding free energy evaluation by Monte Carlo Recursion.
de Souza JV, Nogueira VHR, Nascimento AS. de Souza JV, et al. Among authors: nogueira vhr. Comput Biol Chem. 2023 Apr;103:107830. doi: 10.1016/j.compbiolchem.2023.107830. Epub 2023 Feb 15. Comput Biol Chem. 2023. PMID: 36812825
Non-Toxic Dimeric Peptides Derived from the Bothropstoxin-I Are Potent SARS-CoV-2 and Papain-like Protease Inhibitors.
Freire MCLC, Noske GD, Bitencourt NV, Sanches PRS, Santos-Filho NA, Gawriljuk VO, de Souza EP, Nogueira VHR, de Godoy MO, Nakamura AM, Fernandes RS, Godoy AS, Juliano MA, Peres BM, Barbosa CG, Moraes CB, Freitas-Junior LHG, Cilli EM, Guido RVC, Oliva G. Freire MCLC, et al. Among authors: nogueira vhr. Molecules. 2021 Aug 12;26(16):4896. doi: 10.3390/molecules26164896. Molecules. 2021. PMID: 34443484 Free PMC article.