(Q34074487)

30 July 2017

title

On the calculation of absolute macromolecular binding free energies (English)

1 reference

30 July 2017

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Hengbin Luo

1

1 reference

30 July 2017

Kim Sharp

series ordinal

2

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30 July 2017

language of work or name

English

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publication date

29 July 2002

1 reference

Proceedings of the National Academy of Sciences of the United States of America

30 July 2017

published in

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30 July 2017

volume

99

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30 July 2017

issue

16

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30 July 2017

page(s)

10399-10404

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

30 July 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=124926

Association entropy in adsorption processes.

5 July 2018

1 reference

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Examining methods for calculations of binding free energies: LRA, LIE, PDLD-LRA, and PDLD/S-LRA calculations of ligands binding to an HIV protease

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=124926

Statistical mechanical equilibrium theory of selective ion channels

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=124926

Ranking ligand binding affinities with avidin: a molecular dynamics-based interaction energy study

5 July 2018

1 reference

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Calculation of HyHel10-lysozyme binding free energy changes: effect of ten point mutations.

5 July 2018

1 reference

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Electrostatic contributions to heat capacity changes of DNA-ligand binding

5 July 2018

1 reference

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The entropy cost of protein association.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=124926

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=124926

Energetics of cyclic dipeptide crystal packing and solvation

5 July 2018

1 reference

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

5 July 2018

1 reference

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26-10 Fab-digoxin complex: affinity and specificity due to surface complementarity

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=124926

Structural origins of high-affinity biotin binding to streptavidin

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=124926

Calculation of entropy changes in biological processes: folding, binding, and oligomerization.

5 July 2018

1 reference

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Knowledge-based scoring function to predict protein-ligand interactions.

21 January 2018

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Ligand-receptor docking with the Mining Minima optimizer.

21 January 2018

1 reference

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.162365999

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

21 January 2018

1 reference

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Heavy chain position 50 is a determinant of affinity and specificity for the anti-digoxin antibody 26-10.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=124926

Thermodynamics of transfer of amides from an apolar to an aqueous solution

28 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/12149474

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Loss of translational entropy in binding, folding, and catalysis

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/12149474

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.162365999

1 reference

30 July 2017

0 references

1 reference

30 July 2017

1 reference