A carregar...
Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field
[Image: see text] The development and validation of new peptide dihedral parameters are reported for the OPLS-AA force field. High accuracy quantum chemical methods were used to scan φ, ψ, χ(1), and χ(2) potential energy surfaces for blocked dipeptides. New Fourier coefficients for the dihedral angl...
Na minha lista:
| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2015
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4504185/ https://ncbi.nlm.nih.gov/pubmed/26190950 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00356 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|