Cluster Hydration Model for Binding Energy Calculations of Protein−Ligand Complexes

2009 ◽  
Vol 113 (3) ◽  
pp. 809-817 ◽  
Author(s):  
Katsumi Murata ◽  
Dmitri G. Fedorov ◽  
Isao Nakanishi ◽  
Kazuo Kitaura
Keyword(s):  
Binding Energy ◽  
Energy Calculations ◽  
Hydration Model ◽  
Binding Energy Calculations

Binding-energy calculations for finite nuclei

1967 ◽  
Vol 102 (3) ◽  
pp. 655-666 ◽  
Author(s):  
B.G. Nickel ◽  
E.L. Tomusiak ◽  
R.E. Peierls
Keyword(s):  
Binding Energy ◽  
Energy Calculations ◽  
Finite Nuclei ◽  
Binding Energy Calculations

Discovery of potent inhibitors for SARS-CoV-2's main protease by ligand-based/structure-based virtual screening, MD simulations, and binding energy calculations

2020 ◽  
Vol 22 (40) ◽  
pp. 23099-23106 ◽  
Author(s):  
Abd Al-Aziz A. Abu-Saleh ◽  
Ibrahim E. Awad ◽  
Arpita Yadav ◽  
Raymond A. Poirier
Keyword(s):  
Binding Energy ◽  
Virtual Screening ◽  
Md Simulations ◽  
Computational Investigation ◽  
Energy Calculations ◽  
Main Protease ◽  
Binding Energy Calculations

Computational investigation of novel inhibitors for SARS-CoV-2 Mpro.

Triton binding energy calculations with realistic local potentials

1968 ◽  
Vol 122 (3) ◽  
pp. 675-678 ◽  
Author(s):  
J.W. Humberston ◽  
S.M. Hawkins ◽  
M.A. Hennell ◽  
J.B.G. Wallace
Keyword(s):  
Binding Energy ◽  
Triton Binding Energy ◽  
Energy Calculations ◽  
Local Potentials ◽  
Binding Energy Calculations
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