4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening
<p>Abstract</p> <p>Background</p> <p>The performance of 3D-based virtual screening similarity functions is affected by the applied conformations of compounds. Therefore, the results of 3D approaches are often less robust than 2D approaches. The application of 3D methods...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2011-07-01
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| Series: | Journal of Cheminformatics |
| Online Access: | http://www.jcheminf.com/content/3/1/23 |