(Q52133646)

22 April 2018

title

Study of the electrostatics treatment in molecular dynamics simulations. (English)

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22 April 2018

author

Arne Elofsson

series ordinal

2

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22 April 2018

author name string

Garemyr R

series ordinal

1

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22 April 2018

language of work or name

English

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publication date

1 November 1999

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22 April 2018

published in

Proteins

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22 April 2018

volume

37

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22 April 2018

issue

3

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22 April 2018

page(s)

417-428

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22 April 2018

Accurate simulation of protein dynamics in solution

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Molecular dynamics studies of a DNA‐binding protein: 2. An evaluation of implicit and explicit solvent models for the molecular dynamics simulation of the Escherichia coli trp repressor

21 January 2018

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Taming cut-off induced artifacts in molecular dynamics studies of solvated polypeptides. The reaction field method.

21 January 2018

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The application of different solvation and electrostatic models in molecular dynamics simulations of ubiquitin: how well is the X-ray structure "maintained"?

21 January 2018

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Molecular dynamics simulations of ribonuclease T1: analysis of the effect of solvent on the structure, fluctuations, and active site of the free enzyme.

21 January 2018

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Structure and energetics of ligand binding to proteins: Escherichia coli dihydrofolate reductase-trimethoprim, a drug-receptor system.

21 January 2018

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An all atom force field for simulations of proteins and nucleic acids

21 January 2018

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Comparison of protein structures determined by NMR in solution and by X-ray diffraction in single crystals

21 January 2018

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Three-dimensional solution structure of the reduced form of Escherichia coli thioredoxin determined by nuclear magnetic resonance spectroscopy.

21 January 2018

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Active site dynamics in protein molecules: a stochastic boundary molecular-dynamics approach.

21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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How consistent are molecular dynamics simulations? Comparing structure and dynamics in reduced and oxidized Escherichia coli thioredoxin.

21 January 2018

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The interpretation of protein structures: Estimation of static accessibility

21 January 2018

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High-resolution solution structures of oxidized and reduced Escherichia coli thioredoxin

21 January 2018

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On achieving better than 1-A accuracy in a simulation of a large protein: Streptomyces griseus protease A

21 January 2018

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Molecular dynamics studies of solvated polypeptides: Why the cut-off scheme does not work

21 January 2018

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An evaluation of implicit and explicit solvent model systems for the molecular dynamics simulation of bacteriophage T4 lysozyme

21 January 2018

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10.1002/(SICI)1097-0134(19991115)37:3<417::AID-PROT9>3.0.CO;2-U

21 January 2018

Identifiers

DOI

1 reference

22 April 2018

release_fj2wnuozrndrzfmk5hgjv4e5xu

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/fj2wnuozrndrzfmk5hgjv4e5xu

mapped directly with Wikidata item

24 November 2022

based on heuristic

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22 April 2018