Good, Andrew C

Analysis and optimization of structure-based virtual screening protocols. 2. Examination of docked ligand orientation sampling methodology: mapping a pharmacophore for success. [electronic resource] - Journal of molecular graphics & modelling Sep 2003 - 31-40 p. digital

Publication Type: Evaluation Study; Journal Article

1093-3263

10.1016/S1093-3263(03)00124-4 doi


Binding Sites
Computational Biology
Computer Graphics
Computer Simulation
Databases, Protein
Drug Design
Enzyme Inhibitors--chemistry
Ligands
Models, Molecular
Phosphotransferases (Alcohol Group Acceptor)--metabolism
Receptor Protein-Tyrosine Kinases--metabolism
Saccharomyces cerevisiae Proteins--metabolism
Serine Endopeptidases--metabolism
Software
Structure-Activity Relationship