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

Rational Design and Engineering of a Mutant Variant of Urate Oxidase as a Therapeutic Enzyme: A Molecular Dynamics Simulation Approach

2017 ◽  
Vol 13 (1) ◽  
pp. 30-38
Author(s):  
Sajjad Ahrari ◽  
Fatemeh Dabbagh ◽  
Sobhan Ahrari ◽  
Younes Ghasemi ◽  
Navid Mogharrab ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Rational Design ◽  
Dynamics Simulation ◽  
Urate Oxidase ◽  
Simulation Approach ◽  
Mutant Variant

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

Interaction of water with α,α-trehalose in solution: molecular dynamics simulation approach

1994 ◽  
Vol 90 (18) ◽  
pp. 2731-2735 ◽  
Author(s):  
Maria C. Donnamaria ◽  
Eduardo I. Howard ◽  
J. Raul Grigera
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Approach

Characterization of the molten globule state of retinol-binding protein using a molecular dynamics simulation approach

FEBS Journal ◽  
2005 ◽  
Vol 272 (18) ◽  
pp. 4826-4838 ◽  
Author(s):  
Emanuele Paci ◽  
Lesley H. Greene ◽  
Rachel M. Jones ◽  
Lorna J. Smith
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Binding Protein ◽  
Molten Globule ◽  
Retinol Binding Protein ◽  
Dynamics Simulation ◽  
Simulation Approach ◽  
Molten Globule State

Understanding the biological role of PqqB in Pseudomonas stutzeri using molecular dynamics simulation approach

2020 ◽  
pp. 1-13
Author(s):  
Prassan Choudhary ◽  
Arpan Bhowmik ◽  
Hillol Chakdar ◽  
Mohammad Aqueel Khan ◽  
Chandrabose Selvaraj ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Pseudomonas Stutzeri ◽  
Biological Role ◽  
Dynamics Simulation ◽  
Simulation Approach

scholarly journals Pt3MeAu (Me = Ni, Cu) Fuel Cell Nanocatalyst Growth, Shapes, and Efficiency: A Molecular Dynamics Simulation Approach

2019 ◽  
Vol 123 (49) ◽  
pp. 29656-29664 ◽  
Author(s):  
Pascal Brault ◽  
Christophe Coutanceau ◽  
Amaël Caillard ◽  
Stève Baranton
Keyword(s):  
Molecular Dynamics ◽  
Fuel Cell ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Approach
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