(Q46809073)

25 December 2017

title

Modern protein force fields behave comparably in molecular dynamics simulations (English)

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25 December 2017

author name string

Daniel J Price

series ordinal

1

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25 December 2017

Charles L Brooks

series ordinal

2

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25 December 2017

publication date

1 August 2002

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25 December 2017

Journal of Computational Chemistry

published in

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25 December 2017

volume

23

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25 December 2017

issue

11

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25 December 2017

page(s)

1045-1057

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25 December 2017

Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution

cites work

1 reference

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High-resolution structure of calcium-loaded calbindin D9k

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Molecular dynamics study of calbindin D9k in the apo and singly and doubly calcium-loaded states

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Human interleukin-4 and variant R88Q: phasing X-ray diffraction data by molecular replacement using X-ray and nuclear magnetic resonance models

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Effects of ion binding on the backbone dynamics of calbindin D9k determined by 15N NMR relaxation

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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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21 January 2018

1 reference

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21 January 2018

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Unfolding of an ?-helix in water

21 January 2018

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21 January 2018

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Chain reversals in proteins

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A reassessment of the structure of chymotrypsin inhibitor 2 (CI-2) using time-averaged NMR restraints

21 January 2018

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Analysis of a data set of paired uncomplexed protein structures: new metrics for side-chain flexibility and model evaluation.

21 January 2018

1 reference

Comparison of four independently determined structures of human recombinant interleukin–4

21 January 2018

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21 January 2018

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21 January 2018

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Conformational Variability of Solution Nucelar Magnetic Resonance Structures

21 January 2018

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Pairwise solute descreening of solute charges from a dielectric medium

21 January 2018

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Magnetic Field Dependence of Nitrogen−ProtonJSplittings in15N-Enriched Human Ubiquitin Resulting from Relaxation Interference and Residual Dipolar Coupling

21 January 2018

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Loop mobility in a four-helix-bundle protein: nitrogen-15 NMR relaxation measurements on human interleukin-4

21 January 2018

1 reference

Internal and Overall Peptide Group Motion in Proteins: Molecular Dynamics Simulations for Lysozyme Compared with Results from X-ray and NMR Spectroscopy

21 January 2018

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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

21 January 2018

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Calculations on folding of segment B1 of streptococcal protein G

21 January 2018

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Structure of actinidin, after refinement at 1.7 A resolution

21 January 2018

1 reference

A microscopic view of helix propagation: N and C-terminal helix growth in alanine helices

21 January 2018

1 reference

Stereochemical requirements for the existence of hydrogen bonds in beta-bends

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1 reference

Ribonuclease from Streptomyces aureofaciens at atomic resolution

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1 reference

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Identifiers

DOI

10.1002/JCC.10083

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25 December 2017

DBLP publication ID

journals/jcc/PriceB02

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DBLP Dataset 2021-01-02

28 January 2021

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25 December 2017