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Well-designed and frequently updated software can save valuable time
and often means the difference between success and failure. Tripos'
premier computational informatics offering, SYBYL, leads the way in
innovation with its ever-growing suite of technologies and our
commitment to applied science and frequent product enhancements
Surflex-Dock
Ligand-Receptor Docking and Virtual Screening
Now Available Fully Integrated with SYBYL® 7.2!
Overview
Screening large compound libraries remains an expensive and time-
consuming task. Computational high-throughput screening can enrich
the fraction of suitable compounds in a screening collection,
thereby reducing the cost of biological testing in lead discovery.
Surflex-Dock offers unparalleled enrichments in virtual high-
throughput screening combined with state-of-the-art speed, accuracy
and usability. It uses an updated and re-parameterized empirical
scoring function (based on the Hammerhead docking system) with
additional negative training data and a search engine that relies on
a surface-based molecular similarity method.
Surflex-Dock has been extensively validated and favorably compared
to all leading competing methods by independent researchers
(Kellenberger et al., (2004) Proteins: Structure, Function, and
Bioinformatics 57, 225-242), along with 28 other studies by the
applications author, Prof. Ajay N. Jain, Ph.D., a faculty member at
the University of California San Francisco Cancer Research
Institute.
"Surflex-Dock couples a unique scoring function with a patented
state-of-the-art search engine. The combination has been shown to
yield excellent results in terms of docking accuracy, and
distinctively superior results in terms of screening enrichment,"
said Prof. Ajay N. Jain.
DISCOVERY INFORMATICS
SYBYL®
Benchware®
Informatics Research Center
Platform Technologies
Informatics Services
DISCOVERY RESEARCH
LeadDiscovery™
Discovery Chemistry
Screening Libraries
Research Partnerships
Knowledge-Driven Process
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