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A Fast Solver for Large Scale Multistate Bennett Acceptance Ratio Equations
The multistate Bennett acceptance ratio method (MBAR) and unbinned weighted histogram analysis method (UWHAM) are widely employed approaches to calculate relative free energies of multiple thermodynamic states that gain statistical precision by employing free energy contributions from configurations...
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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6372332/ https://ncbi.nlm.nih.gov/pubmed/30689377 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b01010 |
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