On the Association of the Base Pairs on the Silica Surface Based on Free Energy Biased Molecular Dynamics Simulation and Quantum Mechanical Calculations

2013 ◽  
Vol 117 (21) ◽  
pp. 11066-11075 ◽  
Author(s):  
Susanta Haldar ◽  
Vojtech Spiwok ◽  
Pavel Hobza
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulation ◽  
Silica Surface ◽  
Dynamics Simulation ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Base Pairs

Molecular dynamics simulation and quantum mechanical calculations on α-d-N-acetylneuraminic acid

2012 ◽  
Vol 351 ◽  
pp. 93-97 ◽  
Author(s):  
Thanu R.K. Priyadarzini ◽  
Balakrishnan Subashini ◽  
Jeyasigamani F.A. Selvin ◽  
Kasinadar Veluraja
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Acetylneuraminic Acid

scholarly journals Free Energy Profile of APOBEC3G Protein Calculated by a Molecular Dynamics Simulation

Biology ◽  
2012 ◽  
Vol 1 (2) ◽  
pp. 245-259
Author(s):  
Yoshifumi Fukunishi ◽  
Saki Hongo ◽  
Masami Lintuluoto ◽  
Hiroshi Matsuo
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Energy Profile ◽  
Free Energy Profile
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