Navegação Ciências Exatas e da Terra por Assunto "Molecular dynamics"
Resultados 1-3 de 3
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Atomic model and micelle dynamics of QS-21 saponin
(2014) [Artigo de periódico]QS-21 is a saponin extracted from Quillaja saponaria, widely investigated as a vaccine immunoadjuvant. However, QS-21 use is mainly limited by its chemical instability, significant variety in molecular composition and low ... -
Investigation of the interaction of 2-(2’-Hydroxyphenyl)-benzoxazoles and their derivatives with B-DNA by docking and molecular dynamics
(2015) [Artigo de periódico]In this work we carried out a study covering conformational analysis, docking calculations and molecular dynamics (MD) simulations of six excited state intramolecular proton transfer (ESIPT)-fluorescent 2-(2’-hydroxyphen ... -
Simulation of the interactions between Tröger bases and DNA
(2012) [Artigo de periódico]Bases de Tröger são moléculas que, devido à sua geometria, ligam-se de modo enantiosseletivo ao DNA. Usando dinâmica molecular, foram simuladas bases de Tröger com substituintes proflavina e fenantrolina. Partindo das bases ...