Increasing the Throughput of Shape-Based Virtual Screening with GPU Processing and Single Conformation Databases

Mol Inform. 2010 Apr 12;29(4):293-6. doi: 10.1002/minf.201000010.

Authors

Tuomo Kalliokoski¹, Toni P Ronkko², Antti Poso²

Affiliations

¹ School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, P.O.Box 1627, 70211 Kuopio, Finland. [email protected].
² School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, P.O.Box 1627, 70211 Kuopio, Finland.

PMID: 27463056
DOI: 10.1002/minf.201000010

No abstract available

Keywords: Conformation analysis; PAPER; ROCS; Shape comparison; Virtual screening.