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

Autor: Silva, Rudielson Santos, Souza, Lucas Miguel Pereira, Costa, Rayla Kelly Magalhães, Souza, Felipe Rodrigues, Pimentel, André Silva

Publikováno v: Journal of Biomolecular Structure and Dynamics; December 2023, Vol. 41 Issue: 20 p10546-10557, 12p

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

Autor: Kassab G; São Carlos Institute of Physics, University of São Paulo, São Carlos, São Paulo 13566-590, Brazil., Diaz Tovar JS; São Carlos Institute of Physics, University of São Paulo, São Carlos, São Paulo 13566-590, Brazil., Souza LMP; Department of Chemistry, Pontifical Catholic University of Rio de Janeiro, Rio de Janeiro 22453-900, Brazil., Costa RKM; Department of Chemistry, Pontifical Catholic University of Rio de Janeiro, Rio de Janeiro 22453-900, Brazil., Silva RS; Department of Chemistry, Pontifical Catholic University of Rio de Janeiro, Rio de Janeiro 22453-900, Brazil., Pimentel AS; Department of Chemistry, Pontifical Catholic University of Rio de Janeiro, Rio de Janeiro 22453-900, Brazil., Kurachi C; São Carlos Institute of Physics, University of São Paulo, São Carlos, São Paulo 13566-590, Brazil., Bagnato VS; São Carlos Institute of Physics, University of São Paulo, São Carlos, São Paulo 13566-590, Brazil.; Hagler Institute for Advanced Studies, Texas A&M University, College Station, TX 77843.

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2022 Jun 21; Vol. 119 (25), pp. e2123564119. Date of Electronic Publication: 2022 Jun 13.