Improved side-chain torsion potentials for the Amber ff99SB protein force field (Q24616749)

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Ron Ofer Dror

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object named as

Ron O Dror

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author name string

Stefano Piana

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Kim Palmo

3

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Paul Maragakis

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John L Klepeis

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David E Shaw

A refined solution structure of hen lysozyme determined using residual dipolar coupling data

7

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language of work or name

English

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publication date

June 2010

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published in

Proteins

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volume

78

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issue

8

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page(s)

1950-8

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cites work

1 reference

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

7 April 2017

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Comparison of multiple Amber force fields and development of improved protein backbone parameters

7 April 2017

1 reference

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Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations

7 April 2017

1 reference

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Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew

7 April 2017

1 reference

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Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

7 April 2017

1 reference

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Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformers

7 April 2017

1 reference

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The penultimate rotamer library

7 April 2017

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Long-timescale molecular dynamics simulations of protein structure and function.

7 April 2017

1 reference

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Are current molecular dynamics force fields too helical?

27 September 2017

1 reference

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Ten-microsecond molecular dynamics simulation of a fast-folding WW domain

27 September 2017

1 reference

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Computational techniques for efficient conformational sampling of proteins

27 September 2017

1 reference

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Relation between native ensembles and experimental structures of proteins

27 September 2017

1 reference

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Asparagine and glutamine side-chain conformation in solution and crystal: a comparison for hen egg-white lysozyme using residual dipolar couplings

27 September 2017

1 reference

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Simultaneous determination of protein structure and dynamics.

27 September 2017

1 reference

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Boltzmann-type distribution of side-chain conformation in proteins

27 September 2017

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Self-consistent Karplus parametrization of 3J couplings depending on the polypeptide side-chain torsion chi1.

27 September 2017

1 reference

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The Protein Data Bank and the challenge of structural genomics

27 September 2017

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A common, avoidable source of error in molecular dynamics integrators.

27 September 2017

1 reference

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Measurement of eight scalar and dipolar couplings for methine-methylene pairs in proteins and nucleic acids.

28 November 2018

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Insights into the mobility of methyl-bearing side chains in proteins from (3)J(CC) and (3)J(CN) couplings

28 November 2018

1 reference

https://pubmed.ncbi.nlm.nih.gov/20408171

12 December 2020

Modeling Polarization in Proteins and Protein-ligand Complexes: Methods and Preliminary Results

1 reference

https://pubmed.ncbi.nlm.nih.gov/20408171

12 December 2020

Analysis of .vphi. and .chi.1 torsion angles for hen lysozyme in solution from proton NMR spin-spin coupling constants

1 reference

https://pubmed.ncbi.nlm.nih.gov/20408171

12 December 2020

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/20408171

12 December 2020

The penultimate rotamer library

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22711

7 January 2021

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22711

7 January 2021

Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22711

7 January 2021

Contact Electron‐Spin Coupling of Nuclear Magnetic Moments

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22711

7 January 2021

Comparison of simple potential functions for simulating liquid water

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22711

7 January 2021

Reversible multiple time scale molecular dynamics

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22711

7 January 2021

A smooth particle mesh Ewald method

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https://api.crossref.org/works/10.1002%2FPROT.22711

7 January 2021

Identifiers

DOI

10.1002/PROT.22711

1 reference

release_j3jdsoygofgkzbtxlu3ezuddie

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/j3jdsoygofgkzbtxlu3ezuddie

24 November 2022

mapped directly with Wikidata item

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PubMed publication ID

20408171

1 reference