Title : Generation of ligand conformations in continuum solvent consistent with protein active site topology: application to thrombin.

Pub. Date : 2003 Apr 10

PMID : 12672230






1 Functional Relationships(s)
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1 To test the robustness of the resulting QSAR model, the synthesis of a series of non-peptide thrombin inhibitors based on arylsuphonyl derivatives of an aminophenol ring linked to a pyridyl-based S1 binding group was undertaken. Aminophenols coagulation factor II, thrombin Homo sapiens