(Q31049257)

English

Structure and dynamics of the solvation of bovine pancreatic trypsin inhibitor in explicit water: a comparative study of the effects of solvent and protein polarizability

scientific article

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scholarly article

1 reference

Europe PubMed Central

19 August 2017

Structure and dynamics of the solvation of bovine pancreatic trypsin inhibitor in explicit water: a comparative study of the effects of solvent and protein polarizability (English)

1 reference

Europe PubMed Central

19 August 2017

author name string

Byungchan Kim

1

1 reference

Europe PubMed Central

19 August 2017

Tom Young

2

1 reference

Europe PubMed Central

19 August 2017

Edward Harder

3

1 reference

Europe PubMed Central

19 August 2017

Richard A Friesner

4

1 reference

Europe PubMed Central

19 August 2017

B J Berne

5

1 reference

Europe PubMed Central

19 August 2017

language of work or name

0 references

publication date

1 September 2005

1 reference

Europe PubMed Central

19 August 2017

Journal of Physical Chemistry B

1 reference

Europe PubMed Central

19 August 2017

109

1 reference

Europe PubMed Central

19 August 2017

34

1 reference

Europe PubMed Central

19 August 2017

16529-16538

1 reference

Europe PubMed Central

19 August 2017

Efficient Simulation Method for Polarizable Protein Force Fields: Application to the Simulation of BPTI in Liquid Water.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742603

21 June 2018

All-atom empirical potential for molecular modeling and dynamics studies of proteins

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742603

21 June 2018

Water in protein structure prediction

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742603

21 June 2018

Biomolecular hydration: From water dynamics to hydrodynamics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742603

21 June 2018

Development of a polarizable force field for proteins via ab initio quantum chemistry: first generation model and gas phase tests

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742603

21 June 2018

Can a continuum solvent model reproduce the free energy landscape of a beta -hairpin folding in water?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742603

21 June 2018

Biological water at the protein surface: dynamical solvation probed directly with femtosecond resolution

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742603

21 June 2018

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742603

21 June 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742603

21 June 2018

The lubricant of life: a proposal that solvent water promotes extremely fast conformational fluctuations in mobile heteropolypeptide structure

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742603

21 June 2018

Determination of a high-quality nuclear magnetic resonance solution structure of the bovine pancreatic trypsin inhibitor and comparison with three crystal structures

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742603

21 June 2018

Solvent effects on protein motion and protein effects on solvent motion. Dynamics of the active site region of lysozyme

1 reference

https://pubmed.ncbi.nlm.nih.gov/16853101

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Surface topography dependence of biomolecular hydrophobic hydration

1 reference

https://pubmed.ncbi.nlm.nih.gov/16853101

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

An ab Initio Molecular Dynamics Study of the Aqueous Liquid-Vapor Interface

1 reference

https://pubmed.ncbi.nlm.nih.gov/16853101

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ultrafast Hydrogen-Bond Dynamics in the Infrared Spectroscopy of Water

1 reference

https://pubmed.ncbi.nlm.nih.gov/16853101

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/JP051569V

1 reference

Europe PubMed Central

19 August 2017

1 reference

Europe PubMed Central

19 August 2017

1 reference

Europe PubMed Central

19 August 2017

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0 references

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