OmniMerge: A Systematic Approach to Constrained Conformational Search

OmniMerge performs a systematic search to enumerate all conformations of a molecule (at a given level of torsion-angle resolution) that satisfy a set of local geometric constraints. Constraints would typically come from NMR experiments, but applications such as docking or homology modeling could als...

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Bibliographic Details
Main Authors: Tucker-Kellogg, Lisa, Lozano-Pérez, Tomás
Format: Article
Language:en_US
Published: 2003
Subjects:
Online Access:http://hdl.handle.net/1721.1/3684