Cargando…
Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7
Results of the combined use of the classical force field and the recent quantum chemical PM7 method for docking are presented. Initially the gridless docking of a flexible low molecular weight ligand into the rigid target protein is performed with the energy function calculated in the MMFF94 force f...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Hindawi Publishing Corporation
2017
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5278191/ https://www.ncbi.nlm.nih.gov/pubmed/28191015 http://dx.doi.org/10.1155/2017/7167691 |