An Accurate Prediction of Hydration Free Energies by Combination of Molecular Integral Equations Theory with Structural Descriptors

2010 ◽  
Vol 114 (37) ◽  
pp. 12068-12079 ◽  
Author(s):  
Ekaterina L. Ratkova ◽  
Gennady N. Chuev ◽  
Volodymyr P. Sergiievskyi ◽  
Maxim V. Fedorov
Keyword(s):  
Integral Equations ◽  
Accurate Prediction ◽  
Free Energies ◽  
Molecular Integral ◽  
Structural Descriptors

scholarly journals Accurate prediction of RNA-binding protein residues with two discriminative structural descriptors

2016 ◽  
Vol 17 (1) ◽  
Author(s):  
Meijian Sun ◽  
Xia Wang ◽  
Chuanxin Zou ◽  
Zenghui He ◽  
Wei Liu ◽  
...  
Keyword(s):  
Rna Binding ◽  
Binding Protein ◽  
Rna Binding Protein ◽  
Accurate Prediction ◽  
Protein Residues ◽  
Structural Descriptors

Rapid and Accurate Prediction of Binding Free Energies for Saquinavir-Bound HIV-1 Proteases

2008 ◽  
Vol 130 (8) ◽  
pp. 2639-2648 ◽  
Author(s):  
Ileana Stoica ◽  
S. Kashif Sadiq ◽  
Peter V. Coveney
Keyword(s):  
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Free Energies ◽  
Hiv 1 ◽  
Binding Free Energies
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