(Q35171264)

6 August 2017

title

Electrostatic polarization is crucial in reproducing Cu(I) interaction energies and hydration (English)

1 reference

6 August 2017

Sergei Y Ponomarev

1

1 reference

6 August 2017

Timothy H Click

series ordinal

2

1 reference

6 August 2017

George A Kaminski

series ordinal

3

1 reference

6 August 2017

language of work or name

English

0 references

publication date

28 July 2011

1 reference

Journal of Physical Chemistry B

6 August 2017

published in

1 reference

6 August 2017

volume

115

1 reference

6 August 2017

issue

33

1 reference

6 August 2017

page(s)

10079-10085

1 reference

Polarizable Simulations with Second order Interaction Model - force field and software for fast polarizable calculations: Parameters for small model systems and free energy calculations

6 August 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

Structural investigation of zymogenic and activated forms of human blood coagulation factor VIII: a computational molecular dynamics study

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

Structure of the two transmembrane Cu+ transport sites of the Cu+ -ATPases

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

Metal binding affinity and selectivity in metalloproteins: insights from computational studies.

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

Electrostatic polarization is crucial for reproducing pKa shifts of carboxylic residues in Turkey ovomucoid third domain.

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

New model potentials for sulfur-copper(I) and sulfur-mercury(II) interactions in proteins: from ab initio to molecular dynamics.

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

Molecular modeling of organic and biomolecular systems using BOSS and MCPRO.

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

Molecular dynamics simulations of metalloproteins

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

High Cu(I) and low proton affinities of the CXXC motif of Bacillus subtilis CopZ.

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

Membrane structure of CtrA3, a copper-transporting P-type-ATPase from Aquifex aeolicus

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

Accurate prediction of absolute acidity constants in water with a polarizable force field: substituted phenols, methanol, and imidazole.

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

Copper-Transfer Mechanism from the Human Chaperone Atox1 to a Metal-Binding Domain of Wilson Disease Protein

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

Aqueous Solvation Free Energies of Ions and Ion−Water Clusters Based on an Accurate Value for the Absolute Aqueous Solvation Free Energy of the Proton

8 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3158297

https://api.fatcat.wiki/v0/release/6b3fi47wuzgjlnxviqplmpyeoa

8 December 2018

Identifiers

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30 July 2022

release_6b3fi47wuzgjlnxviqplmpyeoa

Fatcat ID

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Fatcat

https://api.fatcat.wiki/v0/release/6b3fi47wuzgjlnxviqplmpyeoa

30 July 2022

https://api.fatcat.wiki/v0/release/6b3fi47wuzgjlnxviqplmpyeoa

1 reference

30 July 2022

https://api.fatcat.wiki/v0/release/6b3fi47wuzgjlnxviqplmpyeoa

1 reference

30 July 2022