Computational fragment-based binding site identification by ligand competitive saturation.
Fragment-based drug discovery using NMR and x-ray crystallographic methods has proven utility but also non-trivial time, materials, and labor costs. Current computational fragment-based approaches circumvent these issues but suffer from limited representations of protein flexibility and solvation ef...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Public Library of Science (PLoS)
2009-07-01
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| Series: | PLoS Computational Biology |
| Online Access: | http://europepmc.org/articles/PMC2700966?pdf=render |