scholarly journals Investigation of Binding Affinity between Potential Antiviral Agents and PB2 Protein of Influenza A: Non-equilibrium Molecular Dynamics Simulation Approach

2020 ◽  
Vol 17 (13) ◽  
pp. 2031-2039
Author(s):  
Tri Pham ◽  
Hoang Linh Nguyen ◽  
Tuyn Phan-Toai ◽  
Hung Nguyen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Binding Affinity ◽  
Influenza A ◽  
Antiviral Agents ◽  
Dynamics Simulation ◽  
Simulation Approach ◽  
Non Equilibrium Molecular Dynamics ◽  
Non Equilibrium

scholarly journals Transport diffusivities of fluids in nanopores by non-equilibrium molecular dynamics simulation

2012 ◽  
Vol 38 (7) ◽  
pp. 540-553 ◽  
Author(s):  
Hendrik Frentrup ◽  
Carlos Avendaño ◽  
Martin Horsch ◽  
Alaaeldin Salih ◽  
Erich A. Müller
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Non Equilibrium Molecular Dynamics ◽  
Non Equilibrium

Non-equilibrium molecular dynamics simulation as a method of calculating thermodynamic coefficients

2016 ◽  
Vol 421 ◽  
pp. 1-8 ◽  
Author(s):  
Hiroki Matsubara ◽  
Gota Kikugawa ◽  
Takeshi Bessho ◽  
Seiji Yamashita ◽  
Taku Ohara
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Non Equilibrium Molecular Dynamics ◽  
Non Equilibrium
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