A Protocol to Use Comparative Binding Energy Analysis to Estimate Drug-Target Residence Time

2021 ◽  
pp. 171-186
Author(s):  
Gaurav K. Ganotra ◽  
Ariane Nunes-Alves ◽  
Rebecca C. Wade
Keyword(s):  
Binding Energy ◽  
Residence Time ◽  
Drug Target ◽  
Energy Analysis ◽  
Comparative Binding ◽  
Binding Energy Analysis

Prediction of Drug Binding Affinities by Comparative Binding Energy Analysis

1995 ◽  
Vol 38 (14) ◽  
pp. 2681-2691 ◽  
Author(s):  
Angel R. Ortiz ◽  
M. Teresa Pisabarro ◽  
Federico Gago ◽  
Rebecca C. Wade
Keyword(s):  
Binding Energy ◽  
Energy Analysis ◽  
Drug Binding ◽  
Binding Affinities ◽  
Comparative Binding ◽  
Binding Energy Analysis

Comparative binding energy analysis for binding affinity and target selectivity prediction

2009 ◽  
Vol 78 (1) ◽  
pp. 135-153 ◽  
Author(s):  
Stefan Henrich ◽  
Isabella Feierberg ◽  
Ting Wang ◽  
Niklas Blomberg ◽  
Rebecca C. Wade
Keyword(s):  
Binding Energy ◽  
Binding Affinity ◽  
Energy Analysis ◽  
Comparative Binding ◽  
Binding Energy Analysis

scholarly journals Comparative Binding Energy Analysis of the Substrate Specificity of Haloalkane Dehalogenase fromXanthobacter autotrophicusGJ10,

Biochemistry ◽  
2001 ◽  
Vol 40 (37) ◽  
pp. 11288-11288
Author(s):  
Jan Kmuníček ◽  
Santos Luengo ◽  
Federico Gago ◽  
Angel Ramirez Ortiz ◽  
Rebecca C. Wade ◽  
...  
Keyword(s):  
Binding Energy ◽  
Substrate Specificity ◽  
Energy Analysis ◽  
Haloalkane Dehalogenase ◽  
Comparative Binding ◽  
Binding Energy Analysis
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