What makes it difficult to refine protein models further via molecular dynamics simulations?

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.25393 ◽

2017 ◽

Vol 86 ◽

pp. 177-188 ◽

Cited By ~ 22

Author(s):

Lim Heo ◽

Michael Feig

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Protein Models

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Thermodynamics and stability of a -sheet complex: Molecular dynamics simulations on simplified off-lattice protein models

Protein Science ◽

10.1110/ps.03162804 ◽

2004 ◽

Vol 13 (1) ◽

pp. 40-53 ◽

Cited By ~ 19

Author(s):

H. Jang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Protein Models ◽

Lattice Protein Models

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Faculty Opinions recommendation of What makes it difficult to refine protein models further via molecular dynamics simulations?

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.731737194.793537583 ◽

2017 ◽

Author(s):

Alex MacKerell

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Protein Models

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Transmembrane Protein Models Based on High-Throughput Molecular Dynamics Simulations with Experimental Constraints

Methods in Molecular Biology - Molecular Modeling of Proteins ◽

10.1007/978-1-59745-177-2_12 ◽

2008 ◽

pp. 213-227 ◽

Cited By ~ 1

Author(s):

Andrew J. Beevers ◽

Andreas Kukol

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

High Throughput ◽

Transmembrane Protein ◽

Dynamics Simulations ◽

Protein Models

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Faculty Opinions recommendation of What makes it difficult to refine protein models further via molecular dynamics simulations?

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.731737194.793548460 ◽

2018 ◽

Author(s):

Patrice Koehl

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Protein Models

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Assembly and Kinetic Folding Pathways of a Tetrameric β-Sheet Complex: Molecular Dynamics Simulations on Simplified Off-Lattice Protein Models

Biophysical Journal ◽

10.1016/s0006-3495(04)74081-3 ◽

2004 ◽

Vol 86 (1) ◽

pp. 31-49 ◽

Cited By ~ 42

Author(s):

Hyunbum Jang ◽

Carol K. Hall ◽

Yaoqi Zhou

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Folding Pathways ◽

Dynamics Simulations ◽

Protein Models ◽

Β Sheet ◽

Lattice Protein Models ◽

Kinetic Folding

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Cited By ~ 1

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Cited By ~ 27

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Liquid Alkanes

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