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Discovery and structural optimization of a new series of N-acyl-2-aminobenzothiazole as inhibitors of Zika virus.
Dias RFC, Ribeiro BMRM, Cassani NM, Farago DN, Antoniucci GA, de Oliveira Rocha RE, de Oliveira Souza F, Pilau EJ, Jardim ACG, Ferreira RS, de Oliveira Rezende Júnior C. Dias RFC, et al. Among authors: de oliveira rocha re. Bioorg Med Chem. 2023 Nov 15;95:117488. doi: 10.1016/j.bmc.2023.117488. Epub 2023 Oct 5. Bioorg Med Chem. 2023. PMID: 37812885
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. Proteins. 2023 Feb;91(2):218-236. doi: 10.1002/prot.26424. Epub 2022 Oct 10. Proteins. 2023. PMID: 36114781
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: rocha reo. 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