A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2018; you can also visit the original URL.
The file type is application/pdf
.
Molecular Docking Screens Using Comparative Models of Proteins
2009
Journal of Chemical Information and Modeling
Two orders of magnitude more protein sequences can be modeled by comparative modeling than have been determined by X-ray crystallography and NMR spectroscopy. Investigators have nevertheless been cautious about using comparative models for ligand discovery because of concerns about model errors. We suggest how to exploit comparative models for molecular screens, based on docking against a wide range of crystallographic structures and comparative models with known ligands. To account for the
doi:10.1021/ci9003706
pmid:19845314
pmcid:PMC2790034
fatcat:nyvbkezyezhzlhcbposzdfth54