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Tripos Introduces Surflex-Dock Virtual Screening Software

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Tripos, Inc. has announced the release of Surflex-Dock, a fully automatic flexible molecular docking algorithm providing a significant leap forward in rapid in-silico drug-screening applications.

Tripos claims that, the Surflex-Dock program, developed by Professor Ajay Jain, Ph.D., a faculty member at the University of California San Francisco Cancer Research Institute, is proved to offer unparalleled enrichments in virtual high-throughput screening, while exceeding the speed, accuracy and usability provided by existing methods.

"Surflex-Dock couples a unique scoring function with a patented search engine," Jain said.

"This combination has been shown to yield excellent results in terms of docking accuracy, and distinctively superior results in terms of screening enrichment, compared with existing methods."

Surflex-Dock has been extensively validated and favorably compared with all leading competing methods by independent researchers (Kellenberger, et al., Proteins: Structure, Function, and Bioinformatics 57, 225–242 (2004)).

Surflex-Dock is now fully integrated into Tripos’ SYBYL® molecular modeling environment, and is available for immediate release.

"This announcement demonstrates Tripos’ continuing commitment to invest in novel technologies and the highest quality science in the area of protein-ligand interactions," said Bryan Koontz, senior vice president and general manager of Discovery Informatics at Tripos.