| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1363003 | Bioorganic & Medicinal Chemistry Letters | 2010 | 4 Pages |
Abstract
Molecules can be aligned on the basis of their computed electrical multipole moments. This description of molecular electrostatics is proposed and evaluated for similarity applications. It accurately models the charge distribution in compounds with medicinal chemistry interest where electrostatics is known to play an important role in their interaction with the target.
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Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Loris Moretti, W. Graham Richards,