Costa RKM - Search Results

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Absolute binding free energies of mucroporin and its analog mucroporin-M1 with the heptad repeat 1 domain and RNA-dependent RNA polymerase of SARS-CoV-2.

Souza FR, Moura PG, Costa RKM, Silva RS, Pimentel AS. Souza FR, et al. Among authors: costa rkm. J Biomol Struct Dyn. 2023 Aug-Sep;41(14):6957-6968. doi: 10.1080/07391102.2022.2114014. Epub 2022 Aug 22. J Biomol Struct Dyn. 2023. PMID: 35993479

Lung surfactant negatively affects the photodynamic inactivation of bacteria-in vitro and molecular dynamic simulation analyses.

Kassab G, Diaz Tovar JS, Souza LMP, Costa RKM, Silva RS, Pimentel AS, Kurachi C, Bagnato VS. Kassab G, et al. Among authors: costa rkm. Proc Natl Acad Sci U S A. 2022 Jun 21;119(25):e2123564119. doi: 10.1073/pnas.2123564119. Epub 2022 Jun 13. Proc Natl Acad Sci U S A. 2022. PMID: 35696565 Free PMC article.

Absolute binding free energies of the antiviral peptide ATN-161 with protein targets of SARS-CoV-2.

Silva RS, Souza LMP, Costa RKM, Souza FR, Pimentel AS. Silva RS, et al. Among authors: costa rkm. J Biomol Struct Dyn. 2023 Dec;41(20):10546-10557. doi: 10.1080/07391102.2022.2154848. Epub 2022 Dec 7. J Biomol Struct Dyn. 2023. PMID: 36476274

The reconciliation between the experimental and calculated octanol-water partition coefficient of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine using atomistic molecular dynamics: an open question.

Costa RKM, Souza LMP, Silva RS, Souza FR, Pimentel AS. Costa RKM, et al. J Biomol Struct Dyn. 2023;41(21):11510-11517. doi: 10.1080/07391102.2023.2173298. Epub 2023 Jan 30. J Biomol Struct Dyn. 2023. PMID: 36715129

Computational investigation of the alkaloids of Pilocarpus microphyllus species as phytopharmaceuticals for the inhibition of sterol 14α-demethylase protease of Trypanosoma cruzi.

de Sá ÉRA, Souza JL, Costa RKM, Barros RO, de Lima CEB, Lima FDCA, Ramos RM. de Sá ÉRA, et al. Among authors: costa rkm. J Biomol Struct Dyn. 2023 Apr;41(6):2555-2573. doi: 10.1080/07391102.2022.2035819. Epub 2022 Feb 8. J Biomol Struct Dyn. 2023. PMID: 35132947

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