A carregar...
Evaluation of nine condensed-phase force fields of the GROMOS, CHARMM, OPLS, AMBER, and OpenFF families against experimental cross-solvation free energies
Experimental solvation free energies are nowadays commonly included as target properties in the validation of condensed-phase force fields, sometimes even in their calibration. In a previous article [Kashefolgheta et al., J. Chem. Theory. Comput., 2020, 16, 7556–7580], we showed how the involved com...
Na minha lista:
| Publicado no: | Phys Chem Chem Phys |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society of Chemistry
2021
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8207520/ https://ncbi.nlm.nih.gov/pubmed/34105547 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d1cp00215e |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|