The statistical-thermodynamic basis for computation of binding affinities: a critical review (Q33915676)

30 July 2017

The statistical-thermodynamic basis for computation of binding affinities: a critical review (English)

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30 July 2017

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Gilson MK

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30 July 2017

Given JA

series ordinal

2

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30 July 2017

Bush BL

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3

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30 July 2017

McCammon JA

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4

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30 July 2017

language of work or name

English

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publication date

1 March 1997

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30 July 2017

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30 July 2017

72

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30 July 2017

3

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30 July 2017

1047-1069

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Some factors in the interpretation of protein denaturation

30 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Prediction of protein complexes using empirical free energy functions

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Statistical thermodynamic analysis of peptide and protein insertion into lipid membranes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Computational methods to predict binding free energy in ligand-receptor complexes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

What determines the strength of noncovalent association of ligands to proteins in aqueous solution?

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Coupling of local folding to site-specific binding of proteins to DNA

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Proteins under pressure. The influence of high hydrostatic pressure on structure, function and assembly of proteins and protein complexes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Application of the three-dimensional structures of protein target molecules in structure-based drug design

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

The "cratic correction" and related fallacies

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Structure-based drug design

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Role of diffusion in ligand binding to macromolecules and cell-bound receptors

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

The theory of pressure effects on enzymes.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Functional group contributions to drug-receptor interactions.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Entropic Contributions to Rate Accelerations in Enzymic and Intramolecular Reactions and the Chelate Effect

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Solvation energy in protein folding and binding

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

pH-dependent processes in proteins.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Co-operativity in protein-protein association. The structure and stability of the actin filament

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Free energy via molecular simulation: applications to chemical and biomolecular systems

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

On the attribution of binding energy in antigen-antibody complexes McPC 603, D1.3, and HyHEL-5.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Molecular modeling software and methods for medicinal chemistry

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Design of enzyme inhibitors using iterative protein crystallographic analysis

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Calculation of the free energy of association for protein complexes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Principles of protein-protein recognition

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Role of hydrophobicity in the binding of coenzymes. Appendix. Translational and rotational contribution to the free energy of dissociation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

THE BINDING POTENTIAL, A NEGLECTED LINKAGE CONCEPT.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

On the pH dependence of protein stability.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

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

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

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

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

Structural energetics of peptide recognition: Angiotensin II/antibody binding

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184492

The price of lost freedom: entropy of bimolecular complex formation

29 October 2018

1 reference

12 December 2020

Thermodynamics of amide hydrogen bond formation in polar and apolar solvents

1 reference

12 December 2020

Multiple-site titration and molecular modeling: two rapid methods for computing energies and forces for ionizable groups in proteins

1 reference

12 December 2020

Surface area included in energy refinement of proteins. A comparative study on atomic solvation parameters

1 reference

12 December 2020

Reversible high-pressure dissociation of lactic dehydrogenase from pig muscle

1 reference

12 December 2020

Kinetics of reconstitution of porcein muscle lactic dehydrogenase after reversible high pressure dissociation

1 reference

12 December 2020

Pressure-induced structural changes of pig heart lactic dehydrogenase

1 reference

12 December 2020

Free energy calculations by computer simulation

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12 December 2020

Quantum simulation of ferrocytochrome c

1 reference

12 December 2020

1 reference

12 December 2020

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

1 reference

12 December 2020

Hydrophilicity of cavities in proteins

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12 December 2020

Entropy changes accompanying association reactions of proteins

1 reference

12 December 2020

10.1016/S0006-3495(97)78756-3

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DOI

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30 July 2017

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30 July 2017

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