Molecular lipophilicity potential (mlp) in drug design. complementing theoretical tools with experimental results... Other applications of the MLP are presented and illustrated, namely its integration into 3D-QSAR (Comparative Molecular Field Analysis, CoMFA) and its interest as a docking tool
International journal of pharma and bio sciences v1(1),2010 insilico analysis of cranberry proanthocyanidin epicatechin(4beta- 8,2beta-0-7) as an inhibitor for modelled afimbrial adhesin virulence protein of uropathogenic escherichia coli... Docking analysis of Epicatechin(4beta-8,2beta-0-7), a Proanthocyanin from cranberry against modelled fimbrial adhesion was carried out using hex docking tool....
An evolutionary approach for molecular docking... This automatic docking tool, referred to as the GEMDOCK (Generic Evolutionary Method for DOCKing molecules), combines both global and local search strategies search mechanisms....
Ehits: an innovative approach to the docking and scoring function problems... This review will describe the docking tool eHiTS....
