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A grid-based backbone correction to the ff12SB protein force field for implicit-solvent simulations
Force fields, such as Amber’s ff12SB, can be fairly accurate models of the physical forces in proteins and other biomolecules. When coupled with accurate solvation models, force fields are able to bring insight into the conformational preferences, transitions, pathways and free energies for these bi...
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| Udgivet i: | J Chem Theory Comput |
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| Main Authors: | , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2015
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4813323/ https://ncbi.nlm.nih.gov/pubmed/26574266 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00662 |
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