Ligand configurational entropy and protein binding
نویسندگان
چکیده
منابع مشابه
Ligand configurational entropy and protein binding.
The restriction of a small molecule's motion on binding to a protein causes a loss of configurational entropy, and thus a penalty in binding affinity. Some energy models used in computer-aided ligand design neglect this entropic penalty, whereas others account for it based on an expected drop in the number of accessible rotamers upon binding. However, the validity of the physical assumptions un...
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1548 Journal of Chemical Education • Vol. 84 No. 9 September 2007 • www.JCE.DivCHED.org Entropy change is categorized in some prominent general chemistry textbooks as being either positional (configurational) or thermal. Positional entropy focuses on the number of positions in space that can be occupied by the molecules of a system. Then, to the extent that more positions exist after a process ...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 2007
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.0610494104