Výsledky vyhledávání - "Rudielson Santos, Silva"

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

Autor: Felipe Rodrigues, Souza, Paloma Guimarães, Moura, Rayla Kelly Magalhães, Costa, Rudielson Santos, Silva, André Silva, Pimentel

Publikováno v: Journal of Biomolecular Structure and Dynamics. :1-12

The peptide Mucroporin and its analog Mucroporin-M1 were studied using the molecular docking and molecular dynamics simulation of their complexation with two protein targets, the Heptad Repeat 1 (HR1) domain and RNA-dependent RNA polymerase (RdRp) of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d195c42707f148623f9134f473d09b76
https://doi.org/10.1080/07391102.2022.2114014

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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

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

The octanol-water partition coefficient of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) was investigated using atomistic molecular dynamics simulations via thermodynamic integration and multistate Bennett acceptance ratio methods. The GAFF

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8dcaec7c9c96cca7084ae3a5e00eaf6c

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

Autor: Giulia Kassab, Johan Sebastian Diaz Tovar, Lucas Miguel Pereira Souza, Rayla Kelly Magalhães Costa, Rudielson Santos Silva, André Silva Pimentel, Cristina Kurachi, Vanderlei Salvador Bagnato

Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

In the context of the rapid increase of antibiotic-resistant infections, in particular of pneumonia, antimicrobial photodynamic therapy (aPDT), the microbiological application of photodynamic therapy (PDT), comes in as a promising treatment alternati

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f90026aa382ddc1bd63d8ef31828a02d
https://pubmed.ncbi.nlm.nih.gov/35696565

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