Outliers in SAR and QSAR: 2. Is a flexible binding site a possible source of outliers?

Kim, Ki Hwan

Outliers in SAR and QSAR: 2. Is a flexible binding site a possible source of outliers? [electronic resource] - Journal of computer-aided molecular design Aug 2007 - 421-35 p. digital

Publication Type: Journal Article

0920-654X

10.1007/s10822-007-9126-y doi


Binding Sites
Computer Graphics
Computer Simulation
Computer-Aided Design
Crystallography, X-Ray
Cyclic AMP-Dependent Protein Kinases--antagonists & inhibitors
Databases, Protein
Drug Design
Ligands
Models, Molecular
Mutagenesis, Site-Directed
Protein Kinase Inhibitors--chemistry
Quantitative Structure-Activity Relationship
Receptor, TIE-2--antagonists & inhibitors
Ribonucleotide Reductases--chemistry
Structure-Activity Relationship
Substrate Specificity
Triose-Phosphate Isomerase--antagonists & inhibitors
rho-Associated Kinases--antagonists & inhibitors