(Q52040919)

20 April 2018

title

Simulating proteins at constant pH: An approach combining molecular dynamics and Monte Carlo simulation. (English)

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20 April 2018

Peter A Kollman

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20 April 2018

Wilfred F van Gunsteren

series ordinal

object named as

Wilfred F Van Gunsteren

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20 April 2018

author name string

Roland Bürgi

series ordinal

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20 April 2018

language of work or name

English

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publication date

1 June 2002

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20 April 2018

published in

Proteins

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20 April 2018

volume

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20 April 2018

issue

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20 April 2018

page(s)

469-480

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20 April 2018

Self-consistent field approach to protein structure and stability. I: pH dependence of electrostatic contribution

cites work

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

Effect of acidic pH on the structure and lipid binding properties of porcine surfactant protein A. Potential role of acidification along its exocytic pathway.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

Human pancreatic thread protein, an exocrine thread protein with possible implications to Alzheimer's disease: secondary structure in solution at acid pH.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

Measurement of the individual pKa values of acidic residues of hen and turkey lysozymes by two-dimensional 1H NMR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

A Novel View of pH Titration in Biomolecules†

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

A new method for computing the macromolecular electric potential

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

Prediction of pH-dependent properties of proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

Explicit solvent models in protein pKa calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

Improving the accuracy of protein pKa calculations: conformational averaging versus the average structure.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

What are the dielectric "constants" of proteins and how to validate electrostatic models?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

Importance of explicit salt ions for protein stability in molecular dynamics simulation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

Calculations of proton-binding thermodynamics in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

The GROMOS Biomolecular Simulation Program Package

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10046

21 January 2018

Identifiers

DOI

10.1002/PROT.10046

1 reference

20 April 2018

release_xennmrto2bdvpeonflvm3jyynm

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/xennmrto2bdvpeonflvm3jyynm

mapped directly with Wikidata item

24 November 2022

based on heuristic

1 reference

20 April 2018