Liquid-like and rigid-body motions in molecular-dynamics simulations of a crystalline protein

Rigid Body Motions ◽

In Silico Screening of Mutational Effects on Transmembrane Helix Dimerization: Insights from Rigid-Body Docking and Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp071383r ◽

2007 ◽

Vol 111 (30) ◽

pp. 9114-9124 ◽

Cited By ~ 16

Author(s):

Daniele Dell'Orco ◽

Pier Giuseppe De Benedetti ◽

Francesca Fanelli

Keyword(s):

Molecular Dynamics ◽

Rigid Body ◽

In Silico ◽

Transmembrane Helix ◽

In Silico Screening ◽

Rigid Body Docking ◽

Processed splitting algorithms for rigid-body molecular dynamics simulations

Physical Review E ◽

10.1103/physreve.78.026702 ◽

2008 ◽

Vol 78 (2) ◽

Cited By ~ 11

Author(s):

Igor P. Omelyan

Keyword(s):

Molecular Dynamics ◽

Rigid Body ◽

Splitting Algorithms ◽

Molecular dynamics simulations and rigid body (TLS) analysis of aspartate carbamoyltransferase: Evidence for an uncoupled R state

Protein Science ◽

10.1002/pro.5560020606 ◽

1993 ◽

Vol 2 (6) ◽

pp. 927-935 ◽

Cited By ~ 12

Author(s):

John J. Tanner ◽

Paul E. Smith ◽

Kurt L. Krause

Keyword(s):

Molecular Dynamics ◽

Rigid Body ◽

Aspartate Carbamoyltransferase ◽

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 ◽

Ab Initio Molecular Dynamics ◽

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 ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

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 ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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 ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

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 ◽

Dynamics Simulations ◽

Liquid Alkanes

Molecular Dynamics Simulations of Retrograde Condensation in Nanoporous Shale

Proceedings of the 3rd Unconventional Resources Technology Conference ◽

10.15530/urtec-2015-2172738 ◽

2015 ◽

Cited By ~ 1

Author(s):

William R. Welch ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Retrograde Condensation ◽

MOLECULAR DYNAMICS SIMULATIONS OF RAYLEIGH AND FIRST WIND-INDUCED BREAKUP

Atomization and Sprays ◽

10.1615/atomizspr.2011002906 ◽

2011 ◽

Vol 21 (4) ◽

pp. 275-281 ◽

Cited By ~ 4

Author(s):

Kurt F. Ludwig ◽

Michael Micci

Keyword(s):

Molecular Dynamics ◽