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Optimization of the GBMV2 Implicit Solvent Force Field for Accurate Simulation of Protein Conformational Equilibria
Accurate treatment of solvent environment is critical for reliable simulations of protein conformational equilibria. Implicit treatment of solvation, such as using the generalized Born (GB) class of models arguably provides an optimal balance between computational efficiency and physical accuracy. Y...
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| Publicado no: | J Comput Chem |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5407932/ https://ncbi.nlm.nih.gov/pubmed/28397268 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24734 |
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