טוען...
Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding
The generation of a complete ensemble of geometrical configurations is required to obtain reliable estimations of absolute binding free energies by alchemical free-energy methods. Molecular dynamics (MD) is the most popular sampling method, but the representation of large biomolecular systems may be...
שמור ב:
| הוצא לאור ב: | J Chem Theory Comput |
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| Main Authors: | , , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
2018
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6311413/ https://ncbi.nlm.nih.gov/pubmed/29708338 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b00031 |
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