Efficient conformational sampling and weak scoring in docking programs? Strategy of the wisdom of crowds
Abstract Background In drug design, an efficient structure-based optimization of a ligand needs the precise knowledge of the protein–ligand interactions. In the absence of experimental information, docking programs are necessary for ligand positioning, and the choice of a reliable program is essenti...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2017-06-01
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| Series: | Journal of Cheminformatics |
| Subjects: | |
| Online Access: | http://link.springer.com/article/10.1186/s13321-017-0227-x |