Thrombin inhibitors combinatorial docking

Bohm HJ, Banner DW, Weber L. Combinatorial docking and combinatorial chemistry design of potent non-peptide thrombin inhibitors. J Comput Aided Mol Design 1999 13 51-6. 

Bohm described combinatorial docking [272] implemented in LUDI [216] for reductive amination in search for thrombin inhibitors. The binding mode of the most active one with a Ki value of 95 nM was even confirmed by X-ray structure analysis [234] (see Figure 4.5e). 

Combinatorial Docking and Combinatorial Chemistry Design of Potent Non-Peptide Thrombin Inhibitors. 

H. J. Bohm, D. W. Banner, and L. Weber. Combinatorial docking and combinatorial chemistry Design of potent nonpeptide thrombin inhibitors. Journal of Computer-Aided Molecular Design, 13 51-56, 1999. 

Combinatorial docking and combinatorial chemistry design of potent non-peptide thrombin inhibitors. Journal... 

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