Ligand binding to protein-binding pockets with wet and dry regions
نویسندگان
چکیده
منابع مشابه
Ligand binding to protein-binding pockets with wet and dry regions.
Biological processes often depend on protein-ligand binding events, yet accurate calculation of the associated energetics remains as a significant challenge of central importance to structure-based drug design. Recently, we have proposed that the displacement of unfavorable waters by the ligand, replacing them with groups complementary to the protein surface, is the principal driving force for ...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 2011
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.1016793108