Analysis of the effect of electrostatic energy truncation in molecular dynamics simulations of immunoglobulin G light chain dimer

Light Chain ◽

Immunoglobulin G ◽

Electrostatic Energy ◽

Chain Dimer ◽

Comparison of various implicit solvent models in molecular dynamics simulations of immunoglobulin G light chain dimer

Journal of Computational Chemistry ◽

10.1002/jcc.10186 ◽

2003 ◽

Vol 24 (5) ◽

pp. 531-546 ◽

Cited By ~ 15

Author(s):

Marcin Król

Keyword(s):

Molecular Dynamics ◽

Light Chain ◽

Immunoglobulin G ◽

Implicit Solvent ◽

Chain Dimer ◽

Solvent Models ◽

Dynamics Simulations ◽

Implicit Solvent Models

Effects of Galactosylation in Immunoglobulin G from All-Atom Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp504243e ◽

2014 ◽

Vol 118 (33) ◽

pp. 9844-9851 ◽

Cited By ~ 6

Author(s):

Michael E. Fortunato ◽

Coray M. Colina

Keyword(s):

Molecular Dynamics ◽

Immunoglobulin G ◽

Probing light chain mutation effects on thrombin via molecular dynamics simulations and machine learning

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2018.1445032 ◽

2018 ◽

Vol 37 (4) ◽

pp. 982-999 ◽

Cited By ~ 8

Author(s):

Jiajie Xiao ◽

Ryan L. Melvin ◽

Freddie R. Salsbury

Keyword(s):

Machine Learning ◽

Molecular Dynamics ◽

Light Chain ◽

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 ◽