Configurational Entropy in Protein–Peptide 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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We numerically calculate the configurational entropy Sconf of a binary mixture of hard spheres, by using a perturbed Hamiltonian method trapping the system inside a given state, which requires less assumptions than the previous methods [R.J. Speedy, Mol. Phys. 95, 169 (1998)]. We find that Sconf is a decreasing function of packing fraction φ and extrapolates to zero at the Kauzmann packing frac...
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A homogeneous solution of a chiral substance is acquired with an overall asymmetry which is expressed by a specific rotation of a linearly polarized light. Such a solution, despite being at a complete equilibrium, stores configurational entropy in a form of negative entropy which can be nullified by mixing with a solution of the opposite enantiomer. This abundant, yet quite a specific case of i...
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ژورنال
عنوان ژورنال: Journal of Molecular Biology
سال: 2009
ISSN: 0022-2836
DOI: 10.1016/j.jmb.2009.04.003