A fast method for the determination of fractional contributions to solvation in proteins. (Q41807353)

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19 December 2019

title

A fast method for the determination of fractional contributions to solvation in proteins (English)

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19 December 2019

6

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David Talavera

1

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19 December 2019

Adam Hospital

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19 December 2019

Xavier De la Cruz

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F. Javier Luque

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Modesto Orozco

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19 December 2019

author name string

Antonio Morreale

2

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Tim Meyer

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19 December 2019

Carles Ferrer-Costa

5

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Robert Soliva

8

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publication date

25 September 2006

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19 December 2019

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volume

15

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issue

11

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page(s)

2525-2533

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Partition of protein solvation into group contributions from molecular dynamics simulations.

19 December 2019

cites work

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Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2242413

6 June 2018

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2242413

A relationship between protein stability and protein function

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2242413

Calculations of electrostatic interactions in biological systems and in solutions

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2242413

Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2242413

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

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2242413

Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2242413

Continuum and discrete calculation of fractional contributions to solvation free energy.

18 August 2018

1 reference

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18 August 2018

1 reference

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Estimation of binding affinities for celecoxib analogues with COX-2 via Monte Carlo-extended linear response

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2242413

Classical molecular interaction potentials: improved setup procedure in molecular dynamics simulations of proteins.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2242413

Estimation of binding affinities for selective thrombin inhibitors via Monte Carlo simulations.

18 August 2018

1 reference

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A new method for predicting binding affinity in computer-aided drug design

18 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17001031

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17001031

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1110/PS.062406706

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19 December 2019

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19 December 2019

PubMed publication ID

17001031

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