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FF12MC: A revised AMBER forcefield and new protein simulation protocol
Specialized to simulate proteins in molecular dynamics (MD) simulations with explicit solvation, FF12MC is a combination of a new protein simulation protocol employing uniformly reduced atomic masses by tenfold and a revised AMBER forcefield FF99 with (i) shortened C—H bonds, (ii) removal of torsion...
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| Publicado no: | Proteins |
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| Autor principal: | |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley and Sons Inc.
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5129589/ https://ncbi.nlm.nih.gov/pubmed/27348292 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.25094 |
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