(Q57138417)

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Using molecular dynamics simulations on crambin to evaluate the suitability of different continuum dielectric and hydrogen atom models for protein simulations

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scholarly article

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Using molecular dynamics simulations on crambin to evaluate the suitability of different continuum dielectric and hydrogen atom models for protein simulations (English)

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author name string

R L Ornstein

1

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language of work or name

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publication date

April 1990

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Journal of Biomolecular Structure and Dynamics

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7

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1019-41

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5

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describes a project that uses

molecular dynamics simulation

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based on heuristic

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Dynamics of folded proteins

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https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

Electrostatic effects in proteins

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https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

Energetics of charge-charge interactions in proteins.

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

Calculations of electrostatic properties in proteins. Analysis of contributions from induced protein dipoles.

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

Prediction of electrostatic effects of engineering of protein charges.

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

A molecular dynamics study of the C-terminal fragment of the L7/L12 ribosomal protein. Secondary structure motion in a 150 picosecond trajectory.

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

Molecular dynamics simulations of the holo and apo forms of retinol binding protein. Structural and dynamical changes induced by retinol removal

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

The simulated dynamics of the insulin monomer and their relationship to the molecule's structure.

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

Water structure of a hydrophobic protein at atomic resolution: Pentagon rings of water molecules in crystals of crambin

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

Application of molecular dynamics with interproton distance restraints to three-dimensional protein structure determination. A model study of crambin

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

The Protein Data Bank: a computer-based archival file for macromolecular structures

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

Derivation of force fields for molecular mechanics and dynamics from ab initio energy surfaces

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

Molecular dynamics with coupling to an external bath

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

What about protein polarity?

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

Calculation of electrostatic potentials in an enzyme active site

1 reference

https://api.crossref.org/works/10.1080%2F07391102.1990.10508543

21 January 2018

Identifiers

10.1080/07391102.1990.10508543

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