Searching Docking

Chiu T, Solberg J, Patil S et al (2009) Identification of novel non-hydroxamate anthrax toxin lethal factor inhibitors by topo-meric searching, docking and scoring, and in vitro screening. J Chem Inf Model 49 2726-2734... 

Aldose reductase X-ray (1.8 A) 3D-database search + docking Lead discovered... 

Protein structure know 11 dt novo design, receptor-based 3D searching stnjcture-based design, docking... 

Zhang and co-workers worked on the structure-based, computer-assisted search for low molecular weight, non-peptidic protein tyrosine phosphate IB (PTPIB) inhibitors, also using the DOCK methodology [89], They identified several potent and selective PTPIB inhibitors by saeening the ACD. 

DOCK search of enzyme-inhibitor active site as described in text. 

M Vieth, ID Hirst, BN Dominy, H Daigler, CL Brooks III. Assessing search strategies for flexible docking. J Comput Chem 19 1623-1631, 1998. 

TJA Ewing, ID Kuntz. Critical evaluation of search algorithms for automated molecular docking and database screening. J Comput Chem 18 1175-1189, 1997. 

Halperin I, Ma B, Wolfson H, Nussinov R. Principles of docking an overview of search algorithms and a guide to scoring functions. Proteins 2002 47 409-43. 

DREAM++ A set of programs (ORIENT++, REACT++ and SEARCH++) for docking computationally generated ligands into macromolecular binding sites University of California [31]... 

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