A carregar...

S4MPLE—Sampler for Multiple Protein-Ligand Entities: Methodology and Rigid-Site Docking Benchmarking

This paper describes the development of the unified conformational sampling and docking tool called Sampler for Multiple Protein-Ligand Entities (S4MPLE). The main novelty in S4MPLE is the unified dealing with intra- and intermolecular degrees of freedom (DoF). While classically programs are either...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Publicado no:Molecules
Main Authors: Hoffer, Laurent, Chira, Camelia, Marcou, Gilles, Varnek, Alexandre, Horvath, Dragos
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6272476/
https://ncbi.nlm.nih.gov/pubmed/25996209
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules20058997
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!