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Thermostabilizing mechanisms of canonical single amino acid substitutions at a GH1 β-glucosidase probed by multiple MD and computational approaches.
Rocha REO, Mariano DCB, Almeida TS, CorrêaCosta LS, Fischer PHC, Santos LH, Caffarena ER, da Silveira CH, Lamp LM, Fernandez-Quintero ML, Liedl KR, de Melo-Minardi RC, de Lima LHF. Rocha REO, et al. Among authors: de lima lhf. Proteins. 2023 Feb;91(2):218-236. doi: 10.1002/prot.26424. Epub 2022 Oct 10. Proteins. 2023. PMID: 36114781
E-Volve: understanding the impact of mutations in SARS-CoV-2 variants spike protein on antibodies and ACE2 affinity through patterns of chemical interactions at protein interfaces.
Dos Santos VP, Rodrigues A, Dutra G, Bastos L, Mariano D, Mendonça JG, Lobo YJG, Mendes E, Maia G, Machado KDS, Werhli AV, Rocha G, de Lima LHF, de Melo-Minardi R. Dos Santos VP, et al. Among authors: de lima lhf. PeerJ. 2022 Mar 22;10:e13099. doi: 10.7717/peerj.13099. eCollection 2022. PeerJ. 2022. PMID: 35341044 Free PMC article.
Glycosylation and charge distribution orchestrates the conformational ensembles of a biotechnologically promissory phytase in different pHs - a computational study.
De Souza TPP, Cantão LXS, Rodrigues MQRB, Gonçalves DB, Nagem RAP, Rocha REO, Godoi RR, Lima WJN, Galdino AS, Minardi RCM, Lima LHF. De Souza TPP, et al. Among authors: lima lhf. J Biomol Struct Dyn. 2023 Jun 16:1-12. doi: 10.1080/07391102.2023.2223685. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37325852