Docking strategies

Godden, J. W., Stahura, F., Bajorath, J. (1998) Evaluation of docking strategies for virtual screening of compound databases cAMP-dependent serine/threonine kinase as an example. / Mol Graph Model 16, 139-143, 65. 

Minke, W. E., Diller, D. J., Hoi, W. G. J., and Verlinde, C. (1999) The role of waters in docking strategies with incremental flexibility for carbohydrate derivatives heat-labile enterotoxin, a multivalent test case. J. Med. Chem. 42,1778-1788. 

Results from the protein-protein docking strategy 380... 

The approach employs the first three stages of the protein-protein docking strategy amended to tackle protein-DNA complexes [34], The steps are ... 

Using the MM2 force field Still and Rogers [19] assessed the distribution of conformers for the analyte and the CSP analogs. Four docking strategies were... 

Humblet C, Dunbar JB Jr. 3D database searching and docking strategies. Annu Rep Med Chem 1993 28 275-284. 

Fig. 2.11 a Cartoon representation of conjugated polymer film, and its three possible charge transport pathways b Traditional polymers contain one or two alkyl chains on each unit. Steric hindrance may exist when polymers stacked with each other (black circle)-, c Molecular docking strategy to avoid steric hindrance and improve the inter-pol5nner ti-ti interaction. Cartoon representation of the copolymers with different symmetries and their film packings d polymers with centrosymmetric donors and e polymers axisymmetric donors... 

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