Main Page

From DISI

Welcome to DISI, the free, community-based project to document virtual screening and computer aided drug design, now with 300 entries. DISI is an acronym for "DISI is still incomplete", but could also plausibly stand for "Documentation is still incomplete".

The scope of this project is quite broad as it also includes other computational methods in early stage drug discovery. It focuses on the UCSF DOCK program and its associated tools and databases, although we welcome participation by related groups outside UCSF. Our own work includes the ZINC Database, the DUD benchmarking set, DOCK Blaster, WINC, SEA, and related projects. This is also a repository for information about structure based drug design, chemical informatics, public databases and our community. This wiki may be edited by any contributor who creates an account and logs in to ensure proper attributions and citation. We hope you will participate!

[edit]

PRODUCTS

DOCK - UCSF DOCK. Software for molecular docking and virtual screening.
ZINC - A public access database for virtual screening.
DOCK Blaster - A free virtual screening service.
DUD - A Directory of Useful Decoys for Benchmarking Virtual Screening.
HEI - High energy intermediates for substrate discovery and function identification.
SEA - the similarity ensemble approach, similarity using molecular topology.
Docking tools - Software for use in docking, including database preparation.

[edit]

NOTES

Current Problems - Everything that isn't right: Technical, Scientific, and Philosophical.
How To Guides - Tutorials, Protocols and HOW-TO guides.
Contribute - Notes about appropriate contributions.
DUMM - DOCK Users' Meeting Minutes

[edit]