Join us on June 20th to hear from Trent Balius, Postdoctoral Scholar, Shoichet Lab in University of California, San Francisco on DOCK: Where it is and where its going.
DOCK: Where it is and where its going
Postdoctoral Scholar, Shoichet Lab
University of California, San Francisco
Host: Jason Key
Abstract. The primary goals of docking methods are two: (1) ligand discovery, finding new molecules that bind a protein of interest; and (2) pose prediction: identifying how a molecule binds its receptor. Today, there are many molecular docking programs that perform these procedures. Each has their own flavor of sampling and scoring. Here, I will describe the current versions of DOCK -- the pioneering and well tested docking method -- and how it works: specifically, the scoring functions and sampling routines. Although DOCK v6.8 and DOCK v3.7 share the same orienting procedure, there are substantial differences. I will describe the general methodologies (going into their strengths and weaknesses), the available resources for users, and the future directions of software development.
Learn more about DOCK:
DOCK-fans email archive (list to search for solutions to problems or submit questions):
Most recent method Papers:
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