Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulation of Wild-Type and Seven Mutants ofCpNagJ in Complex with PUGNAc

2010 ◽  
Vol 114 (20) ◽  
pp. 7029-7036 ◽  
Author(s):  
Jeronimo Lameira ◽  
Cláudio Nahum Alves ◽  
Vicent Moliner ◽  
Sergio Martí ◽  
Raquel Castillo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Quantum Mechanical ◽  
Wild Type

scholarly journals 1P255 Molecular Dynamics Simulation of the Wild-Type and Mutated LOV2 Domains

2005 ◽  
Vol 45 (supplement) ◽  
pp. S95
Author(s):  
M. Nabeno ◽  
N. Kamiya ◽  
J. Higo ◽  
S. Tokutomi ◽  
M. Sakurai
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Wild Type

Development of semiclassical molecular dynamics simulation method

2016 ◽  
Vol 18 (17) ◽  
pp. 11972-11985 ◽  
Author(s):  
Hiroki Nakamura ◽  
Shinkoh Nanbu ◽  
Yoshiaki Teranishi ◽  
Ayumi Ohta
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Method ◽  
Dynamics Simulation ◽  
Quantum Mechanical ◽  
Quantum Mechanical Tunneling ◽  
Nonadiabatic Transitions ◽  
Mechanical Effects ◽  
Quantum Mechanical Effects ◽  
Chemical And Biological Systems

Various quantum mechanical effects such as nonadiabatic transitions, quantum mechanical tunneling and coherence play crucial roles in a variety of chemical and biological systems.

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