Literature DB >> 8146122

Entropy in biological binding processes: estimation of translational entropy loss.

K P Murphy1, D Xie, K S Thompson, L M Amzel, E Freire.   

Abstract

The loss of translational degrees of freedom makes an important, unfavorable contribution to the free energy of binding. Examination of experimental values suggest that calculation of this entropy using the Sackur-Tetrode equation produces largely overestimated values. Better agreement is obtained using the cratic entropy. Theoretical considerations suggest that the volumes available for the movement of a ligand in solution and in a complex are rather similar, suggesting also that the cratic entropy provides the best estimate of the loss of translational entropy.

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Year:  1994        PMID: 8146122     DOI: 10.1002/prot.340180108

Source DB:  PubMed          Journal:  Proteins        ISSN: 0887-3585


  35 in total

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2.  Contribution of translational and rotational motions to molecular association in aqueous solution.

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Journal:  Biophys J       Date:  2001-09       Impact factor: 4.033

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Authors:  N Ben-Tal; B Honig; C K Bagdassarian; A Ben-Shaul
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4.  The consequences of translational and rotational entropy lost by small molecules on binding to proteins.

Authors:  Christopher W Murray; Marcel L Verdonk
Journal:  J Comput Aided Mol Des       Date:  2002-10       Impact factor: 3.686

5.  Structure-based thermodynamic analysis of the dissociation of protein phosphatase-1 catalytic subunit and microcystin-LR docked complexes.

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Journal:  Protein Sci       Date:  2000-02       Impact factor: 6.725

6.  Quantification of helix-helix binding affinities in micelles and lipid bilayers.

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Journal:  Protein Sci       Date:  2004-08-31       Impact factor: 6.725

7.  Transition state stabilization by general acid catalysis, water expulsion, and enzyme reorganization in Medicago savita chalcone isomerase.

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8.  SH2 domains recognize contextual peptide sequence information to determine selectivity.

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9.  Application of a BOSS-Gaussian interface for QM/MM simulations of Henry and methyl transfer reactions.

Authors:  Jonah Z Vilseck; Jakub Kostal; Julian Tirado-Rives; William L Jorgensen
Journal:  J Comput Chem       Date:  2015-08-27       Impact factor: 3.376

10.  Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System.

Authors:  Daiana A Capdevila; Katherine A Edmonds; Gregory C Campanello; Hongwei Wu; Giovanni Gonzalez-Gutierrez; David P Giedroc
Journal:  J Am Chem Soc       Date:  2018-07-16       Impact factor: 15.419

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