A carregar...

Improved prediction of HIV-1 protease-inhibitor binding energies by molecular dynamics simulations

BACKGROUND: The accurate prediction of enzyme-substrate interaction energies is one of the major challenges in computational biology. This study describes the improvement of protein-ligand binding energy prediction by incorporating protein flexibility through the use of molecular dynamics (MD) simul...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Main Authors: Jenwitheesuk, Ekachai, Samudrala, Ram
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2003
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC154089/
https://ncbi.nlm.nih.gov/pubmed/12675950
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1472-6807-3-2
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!