A 500-ps molecular dynamics simulation trajectory of cardiotoxin II from Taiwan cobra venom in solution: Correlation with NMR and X-ray crystallography data

1999 ◽  
Vol 20 (5) ◽  
pp. 546-562 ◽  
Author(s):  
Ying-Chieh Sun ◽  
Shu-Fen Yang ◽  
I-Lung Hwang ◽  
Tzu-Hsien Wu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Cobra Venom ◽  
X Ray ◽  
X Ray Crystallography ◽  
Cardiotoxin Ii

scholarly journals Multiple binding modes of a small molecule to human Keap1 revealed by X-ray crystallography and molecular dynamics simulation

FEBS Open Bio ◽  
2015 ◽  
Vol 5 (1) ◽  
pp. 557-570 ◽  
Author(s):  
Mikiya Satoh ◽  
Hajime Saburi ◽  
Tomoyuki Tanaka ◽  
Yoshinori Matsuura ◽  
Hisashi Naitow ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Small Molecule ◽  
Dynamics Simulation ◽  
Binding Modes ◽  
X Ray ◽  
X Ray Crystallography ◽  
Multiple Binding

scholarly journals Structure of HI-6•Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design

PLoS ONE ◽  
2009 ◽  
Vol 4 (6) ◽  
pp. e5957 ◽  
Author(s):  
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Andreas Hörnberg ◽  
Elisabet Artursson ◽  
Lars-Gunnar Hammarström ◽  
Gunter Schneider ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
X Ray ◽  
X Ray Crystallography ◽  
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