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CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
[Image: see text] Proper treatment of nonbonded interactions is essential for the accuracy of molecular dynamics (MD) simulations, especially in studies of lipid bilayers. The use of the CHARMM36 force field (C36 FF) in different MD simulation programs can result in disagreements with published simu...
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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , , , , , , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2015
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4712441/ https://ncbi.nlm.nih.gov/pubmed/26631602 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00935 |
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