CHARMM‐GUI DEER facilitator for spin‐pair distance distribution calculations and preparation of restrained‐ensemble molecular dynamics simulations

2019 ◽  
Vol 41 (5) ◽  
pp. 415-420 ◽  
Author(s):  
Yifei Qi ◽  
Jumin Lee ◽  
Xi Cheng ◽  
Rong Shen ◽  
Shahidul M. Islam ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Distance Distribution ◽  
Spin Pair ◽  
Dynamics Simulations

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

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

ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

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

MOLECULAR DYNAMICS SIMULATIONS OF RAYLEIGH AND FIRST WIND-INDUCED BREAKUP

2011 ◽  
Vol 21 (4) ◽  
pp. 275-281 ◽  
Author(s):  
Kurt F. Ludwig ◽  
Michael Micci
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

MOLECULAR DYNAMICS SIMULATIONS OF ATOMIZATION AND SPRAY PHENOMENA

2001 ◽  
Vol 11 (4) ◽  
pp. 351-363 ◽  
Author(s):  
Teresa L. Kaltz ◽  
Lyle N. Long
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Glutamate Diffusion in Synaptic Cleft

2006 ◽  
Vol 18 (1-2) ◽  
pp. 61-69 ◽  
Author(s):  
Sean M. Cory ◽  
Mladen I. Glavinovic
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Synaptic Cleft ◽  
Dynamics Simulations
Sign in / Sign up

Export Citation Format

Share Document