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