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Absolute Binding Free Energy Calculations: On the Accuracy of Computational Scoring of Protein-ligand Interactions

Calculating the absolute binding free energies is a challenging task. Reliable estimates of binding free energies should provide a guide for rational drug design. It should also provide us with deeper understanding of the correlation between protein structure and its function. Further applications m...

תיאור מלא

שמור ב:
מידע ביבליוגרפי
Main Authors: Singh, Nidhi, Warshel, Arieh
פורמט: Artigo
שפה:Inglês
יצא לאור: 2010
נושאים:
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC2868600/
https://ncbi.nlm.nih.gov/pubmed/20186976
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.22687
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