Nalaganje...
Drude Polarizable Force Field Parametrization of Carboxylate and N-acetyl Amine Carbohydrate Derivatives
In this work, we report the development of Drude polarizable force-field parameters for the carboxylate and N-acetyl amine derivatives, extending the functionality of existing Drude polarizable carbohydrate force field. The force field parameters have been developed in a hierarchical manner, reprodu...
Shranjeno v:
| izdano v: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2019
|
| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6852669/ https://ncbi.nlm.nih.gov/pubmed/31411469 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00327 |
| Oznake: |
Označite
Brez oznak, prvi označite!
|