Interpretation of Protein-Drug Interaction through Fraction Bound and Relative Contribution of Secondary Sites

1974 ◽  
Vol 63 (9) ◽  
pp. 1423-1427 ◽  
Author(s):  
R.F. Mais ◽  
S. Keresztes-Nagy ◽  
J.F. Zaroslinski ◽  
Y.T. Oester
2015 ◽  
Vol 44 (10) ◽  
pp. 3177-3211 ◽  
Author(s):  
Maximillian J. S. Phipps ◽  
Thomas Fox ◽  
Christofer S. Tautermann ◽  
Chris-Kriton Skylaris

The partitioning of the interaction energy into chemical components such as electrostatics, polarization, and charge transfer is possible with energy decomposition analysis approaches. We review and evaluate these for biomolecular applications.


2009 ◽  
Vol 10 (3) ◽  
pp. 271-278 ◽  
Author(s):  
Walter de Azevedo Jr. ◽  
Rafael Caceres ◽  
Ivani Pauli ◽  
Luis Fernando Timmers ◽  
Guy Barcellos ◽  
...  

2019 ◽  
Vol 59 (1) ◽  
pp. 25-36 ◽  
Author(s):  
Xing Jing ◽  
Ping Ji ◽  
Sarah J. Schrieber ◽  
Elimika P. Fletcher ◽  
Chandrahas Sahajwalla

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