(Q27860942)

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Crystallographic R factor refinement by molecular dynamics

scientific article (publication date: 23 January 1987)

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title

Crystallographic R factor refinement by molecular dynamics (English)

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main subject

molecular dynamics simulation

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author

Martin Karplus

series ordinal

3

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author name string

A T Brünger

series ordinal

1

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J Kuriyan

series ordinal

2

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language of work or name

English

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publication date

23 January 1987

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published in

Science

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volume

235

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issue

4787

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page(s)

458-60

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cites work

Crystal structure determination, refinement and the molecular model of the alpha-amylase inhibitor Hoe-467A

1 reference

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Optimization by Simulated Annealing

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Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1126/SCIENCE.235.4787.458

Structure of the hydrophobic protein crambin determined directly from the anomalous scattering of sulphur

1 reference

11 October 2022

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Dynamics of proteins: elements and function

1 reference

11 October 2022

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Three-dimensional structure of proteins determined by molecular dynamics with interproton distance restraints: application to crambin

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1126/SCIENCE.235.4787.458

Solution of a protein crystal structure with a model obtained from NMR interproton distance restraints

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1126/SCIENCE.235.4787.458

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1126/SCIENCE.235.4787.458

Stereochemically restrained refinement of macromolecular structures

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1126/SCIENCE.235.4787.458

A structure-factor least-squares refinement procedure for macromolecular structures using constrainedandrestrained parameters

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1126/SCIENCE.235.4787.458

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DOI

10.1126/SCIENCE.235.4787.458

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PubMed publication ID

17810339

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(Q27860942)

Crystallographic R factor refinement by molecular dynamics

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