A carregar...
Energy minimization on manifolds for docking flexible molecules
In this paper we extend a recently introduced rigid body minimization algorithm, defined on manifolds, to the problem of minimizing the energy of interacting flexible molecules. The goal is to integrate moving the ligand in six dimensional rotational/translational space with internal rotations aroun...
Na minha lista:
| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4606885/ https://ncbi.nlm.nih.gov/pubmed/26478722 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500155t |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|