Listar Ciencias Exactas y Naturales por tema "Molecular dynamics"

Mostrando ítems 1-3 de 3

    • Atomic model and micelle dynamics of QS-21 saponin 

      Pedebos, Conrado; Fachin, Laércio Pol; Pons, Ramon; Teixeira, Cilâine Verônica; Verli, Hugo (2014) [Artículo 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 

      Grasel, Fábio dos Santos; Oliveira, Tiago Espinosa de; Netz, Paulo Augusto (2015) [Artículo 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 

      Ricci, Clarisse Gravina; Netz, Paulo Augusto (2012) [Artículo 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 ...