The conformation of the A-ring fragment of neuromuscular blocking agents structurally related to pancuronium. X-Ray structure determinations, molecular mechanics calculations and molecular dynamics simulations

1996 ◽  
pp. 2133 ◽  
Author(s):  
Huub Kooijman ◽  
Jan Kelder ◽  
Jan A. Kanters ◽  
Albert J. M. Duisenberg ◽  
Jan Kroona
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molecular Mechanics ◽  
Neuromuscular Blocking ◽  
Neuromuscular Blocking Agents ◽  
Molecular Mechanics Calculations ◽  
X Ray ◽  
Blocking Agents ◽  
Structure Determinations ◽  
Dynamics Simulations

scholarly journals Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions

2016 ◽  
Vol 144 (15) ◽  
pp. 154704 ◽  
Author(s):  
Giorgia Olivieri ◽  
Krista M. Parry ◽  
Cedric J. Powell ◽  
Douglas J. Tobias ◽  
Matthew A. Brown
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solutions ◽  
Molecular Dynamics Simulations ◽  
Photoelectron Spectroscopy ◽  
Quantitative Interpretation ◽  
X Ray ◽  
Dynamics Simulations

Liquid Structure of 1-Propanol by Molecular Dynamics Simulations and X-Ray Scattering

2004 ◽  
Vol 33 (6/7) ◽  
pp. 797-809 ◽  
Author(s):  
Isao Akiyama ◽  
Masaya Ogawa ◽  
Keiichi Takase ◽  
Toshiyuki Takamuku ◽  
Toshio Yamaguchi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Liquid Structure ◽  
X Ray ◽  
X Ray Scattering ◽  
Dynamics Simulations ◽  
Ray Scattering
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