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COFFDROP: A Coarse-Grained Nonbonded Force Field for Proteins Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of Amino Acids
[Image: see text] We describe the derivation of a set of bonded and nonbonded coarse-grained (CG) potential functions for use in implicit-solvent Brownian dynamics (BD) simulations of proteins derived from all-atom explicit-solvent molecular dynamics (MD) simulations of amino acids. Bonded potential...
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| 發表在: | J Chem Theory Comput |
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| Main Authors: | , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
American
Chemical Society
2014
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| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4230375/ https://ncbi.nlm.nih.gov/pubmed/25400526 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct5006328 |
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