scholarly journals Analysis of 15N–1H NMR Relaxation in Proteins by a Combined Experimental and Molecular Dynamics Simulation Approach: Picosecond–Nanosecond Dynamics of the Rho GTPase Binding Domain of Plexin-B1 in the Dimeric State Indicates Allosteric Pathways

2012 ◽  
Vol 117 (1) ◽  
pp. 174-184 ◽  
Author(s):  
Mirco Zerbetto ◽  
Ross Anderson ◽  
Sabine Bouguet-Bonnet ◽  
Mariano Rech ◽  
Liqun Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
1H Nmr ◽  
Rho Gtpase ◽  
Nmr Relaxation ◽  
Binding Domain ◽  
Dynamics Simulation ◽  
Simulation Approach ◽  
Nanosecond Dynamics ◽  
Gtpase Binding Domain

scholarly journals Distribution and Transport of CO2 in Hydrated Hyperbranched Poly(ethylenimine) Membranes: A Molecular Dynamics Simulation Approach

ACS Omega ◽  
2021 ◽  
Vol 6 (4) ◽  
pp. 3390-3398
Author(s):  
Kyung Il Kim ◽  
Robin Lawler ◽  
Hyun June Moon ◽  
Pavithra Narayanan ◽  
Miles A. Sakwa-Novak ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Approach ◽  
Hyperbranched Poly
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