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CHARMM General Force Field (CGenFF): A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
The widely used CHARMM additive all-atom force field includes parameters for proteins, nucleic acids, lipids and carbohydrates. In the present paper an extension of the CHARMM force field to drug-like molecules is presented. The resulting CHARMM General Force Field (CGenFF) covers a wide range of ch...
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| Main Authors: | , , , , , , , , , , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
2010
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2888302/ https://ncbi.nlm.nih.gov/pubmed/19575467 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21367 |
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