Učitavanje...
Polarizable Molecular Dynamics in a Polarizable Continuum Solvent
We present for the first time scalable polarizable molecular dynamics (MD) simulations within a polarizable continuum solvent with molecular shape cavities and exact solution of the mutual polarization. The key ingredients are a very efficient algorithm for solving the equations associated with the...
Spremljeno u:
| Izdano u: | J Chem Theory Comput |
|---|---|
| Glavni autori: | , , , , , , , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2015
|
| Teme: | |
| Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4621208/ https://ncbi.nlm.nih.gov/pubmed/26516318 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500998q |
| Oznake: |
Dodaj oznaku
Bez oznaka, Budi prvi tko označuje ovaj zapis!
|