RigFit: a new approach to superimposing ligand molecules

Abstract

If structural knowledge of a receptor under consideration is lacking, drug design approaches focus on similarity or dissimilarity analysis of putative ligands. In this context the mutual ligand superposition is of utmost importance. Methods that are rapid enough to facilitate interactive usage, that allow to process sets of conformers and that enable… (More)
DOI: 10.1023/A:1008027706830

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