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Develop and Test a Solvent Accessible Surface Area-Based Model in Conformational Entropy Calculations
It is of great interest in modern drug design to accurately calculate the free energies of protein-ligand or nucleic acid-ligand binding. MM-PBSA (Molecular Mechanics-Poisson Boltzmann Surface Area) and MM-GBSA (Molecular Mechanics-Generalized Born Surface Area) have gained popularity in this field....
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| Hauptverfasser: | , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2012
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3360827/ https://ncbi.nlm.nih.gov/pubmed/22497310 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci300064d |
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