A comprehensive examination of the contributions to the binding entropy of protein-ligand complexes (Q34721619)

4 August 2017

title

A comprehensive examination of the contributions to the binding entropy of protein-ligand complexes (English)

1 reference

4 August 2017

2

Arieh Warshel

1 reference

4 August 2017

Nidhi Singh

1

1 reference

4 August 2017

language of work or name

English

0 references

publication date

1 May 2010

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4 August 2017

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4 August 2017

volume

78

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4 August 2017

issue

7

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4 August 2017

page(s)

1724-1735

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Toward accurate microscopic calculation of solvation entropies: extending the restraint release approach to studies of solvation effects

4 August 2017

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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Calculations of antibody-antigen interactions: microscopic and semi-microscopic evaluation of the free energies of binding of phosphorylcholine analogs to McPC603

7 July 2018

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7 July 2018

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7 July 2018

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Binding Energy, Specificity, and Enzymic Catalysis: The Circe Effect

7 July 2018

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Information theory-based scoring function for the structure-based prediction of protein-ligand binding affinity

7 July 2018

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On the interpretation of the observed linear free energy relationship in phosphate hydrolysis: a thorough computational study of phosphate diester hydrolysis in solution

26 October 2018

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What are the roles of substrate-assisted catalysis and proximity effects in peptide bond formation by the ribosome?

26 October 2018

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Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf.

26 October 2018

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The consequences of translational and rotational entropy lost by small molecules on binding to proteins

26 October 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3064472

Contributions to the binding free energy of ligands to avidin and streptavidin.

26 October 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3064472

A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

26 October 2018

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Empirical scoring functions. II. The testing of an empirical scoring function for the prediction of ligand-receptor binding affinities and the use of Bayesian regression to improve the quality of the model.

26 October 2018

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The contribution of vibrational entropy to molecular association. The dimerization of insulin.

26 October 2018

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Energetic origins of specificity of ligand binding in an interior nonpolar cavity of T4 lysozyme

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Calculations of solute and solvent entropies from molecular dynamics simulations

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Comment on: 'The entropy cost of protein association'

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Overcoming roadblocks in lead optimization: a thermodynamic perspective

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Ligand binding affinity prediction by linear interaction energy methods

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Energy landscape of a native protein: jumping-among-minima model

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Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities

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Thermodynamic analysis of binding of p-substituted benzamidines to trypsin

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Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal-gas entropy correction?

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Absolute and relative entropies from computer simulation with applications to ligand binding

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Identifiers

DOI

10.1002/PROT.22689

1 reference

4 August 2017

1 reference

4 August 2017

1 reference