An energy function for dynamics simulations of polypeptides in torsion angle space

F. Sartori; B. Melchers; H. Böttcher; E. W. Knapp

doi:10.1063/1.476181

An energy function for dynamics simulations of polypeptides in torsion angle space

The Journal of Chemical Physics ◽

10.1063/1.476181 ◽

1998 ◽

Vol 108 (19) ◽

pp. 8264-8276 ◽

Cited By ~ 6

Author(s):

F. Sartori ◽

B. Melchers ◽

H. Böttcher ◽

E. W. Knapp

Keyword(s):

Energy Function ◽

Torsion Angle ◽

Angle Space ◽

Dynamics Simulations ◽

Torsion Angle Space

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Can Conformational Changes of Proteins Be Represented in Torsion Angle Space? A Study with Rescaled Ridge Regression

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.9b00627 ◽

2019 ◽

Vol 59 (11) ◽

pp. 4929-4941 ◽

Cited By ~ 2

Author(s):

Ugo Bastolla ◽

Yves Dehouck

Keyword(s):

Conformational Changes ◽

Ridge Regression ◽

Torsion Angle ◽

Angle Space ◽

Torsion Angle Space

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Optimization of interatomic angle geometry in torsion angle space

Journal of Biomolecular NMR ◽

10.1007/bf02192813 ◽

1992 ◽

Vol 2 (5) ◽

pp. 519-526 ◽

Cited By ~ 2

Author(s):

R. Ajay Kumar

Keyword(s):

Torsion Angle ◽

Angle Space ◽

Torsion Angle Space

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DUPLEX: A molecular mechanics program in torsion angle space for computing structures of DNA and RNA

10.2172/7250412 ◽

1992 ◽

Author(s):

B Hingerty

Keyword(s):

Molecular Mechanics ◽

Torsion Angle ◽

Dna And Rna ◽

Angle Space ◽

Torsion Angle Space

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Simple procedure for conformation-family search in multidimensional torsion-angle space

Journal of Applied Crystallography ◽

10.1107/s0021889806005589 ◽

2006 ◽

Vol 39 (3) ◽

pp. 315-319 ◽

Cited By ~ 4

Author(s):

Frantisek Pavelcik ◽

Jan Vanco

Keyword(s):

Torsion Angle ◽

Model Building ◽

Simple Procedure ◽

Angle Space ◽

Torsion Angle Space

A method for studying conformation spaces inndimensions has been developed. The method is used to calculate preferences of conformation families for the purpose of model building.

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Torsional Network Model: Normal Modes in Torsion Angle Space Better Correlate with Conformation Changes in Proteins

Physical Review Letters ◽

10.1103/physrevlett.104.228103 ◽

2010 ◽

Vol 104 (22) ◽

Cited By ~ 56

Author(s):

Raul Mendez ◽

Ugo Bastolla

Keyword(s):

Network Model ◽

Torsion Angle ◽

Normal Modes ◽

Conformation Changes ◽

Angle Space ◽

Torsion Angle Space

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The Topology of the Energy Landscapes of Macromolecules in the Torsion Angle Space and the Principle of the Minimum Energy Dissipation Rate in Conformational Relaxation

BIOPHYSICS ◽

10.1134/s0006350917060227 ◽

2017 ◽

Vol 62 (6) ◽

pp. 892-899 ◽

Cited By ~ 4

Author(s):

K. V. Shaitan

Keyword(s):

Energy Dissipation ◽

Torsion Angle ◽

Dissipation Rate ◽

Minimum Energy ◽

Energy Dissipation Rate ◽

Energy Landscapes ◽

Conformational Relaxation ◽

Angle Space ◽

Minimum Energy Dissipation ◽

Torsion Angle Space

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Distance geometry in distance and torsion angle space: Flexibility, convergence and sampling properties

Proteins ◽

10.1007/978-94-010-9063-6_17 ◽

1991 ◽

pp. 116-122 ◽

Cited By ~ 1

Author(s):

W. Braun

Keyword(s):

Torsion Angle ◽

Distance Geometry ◽

Angle Space ◽

Torsion Angle Space

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DUPLEX: A molecular mechanics program in torsion angle space for computing structures of DNA and RNA

10.2172/10179029 ◽

1992 ◽

Author(s):

B Hingerty

Keyword(s):

Molecular Mechanics ◽

Torsion Angle ◽

Dna And Rna ◽

Angle Space ◽

Torsion Angle Space

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Distance Geometry in Torsion Angle Space: New Developments and Applications

Computational Aspects of the Study of Biological Macromolecules by Nuclear Magnetic Resonance Spectroscopy ◽

10.1007/978-1-4757-9794-7_14 ◽

1991 ◽

pp. 199-208 ◽

Cited By ~ 1

Author(s):

Werner Braun

Keyword(s):

Torsion Angle ◽

Distance Geometry ◽

New Developments ◽

Angle Space ◽

Torsion Angle Space

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Simultaneous single-structure and bundle representation of protein NMR structures in torsion angle space

Journal of Biomolecular NMR ◽

10.1007/s10858-012-9615-8 ◽

2012 ◽

Vol 52 (4) ◽

pp. 351-364 ◽

Cited By ~ 13

Author(s):

Daniel Gottstein ◽

Donata K. Kirchner ◽

Peter Güntert

Keyword(s):

Torsion Angle ◽

Protein Nmr ◽

Nmr Structures ◽

Single Structure ◽

Angle Space ◽

Torsion Angle Space

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