Nalaganje...
Coupling Constant pH Molecular Dynamics with Accelerated Molecular Dynamics
An extension of the constant pH method originally implemented by Mongan et al. (J. Comput. Chem.2004, 25, 2038−2048) is proposed in this study. This adapted version of the method couples the constant pH methodology with the enhanced sampling technique of accelerated molecular dynamics, in an attempt...
Shranjeno v:
| Main Authors: | , , |
|---|---|
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
American Chemical Society
2010
|
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2817915/ https://ncbi.nlm.nih.gov/pubmed/20148176 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct9005294 |
| Oznake: |
Označite
Brez oznak, prvi označite!
|