3-450: The program UCSF DOCK was created in the 1980s by Irwin "Tack" Kuntz 's Group, and was the first docking program. DOCK uses geometric algorithms to predict the binding modes of small molecules. Brian K. Shoichet, David A. Case, and Robert C.Rizzo are codevelopers of DOCK. Two versions of the docking program are actively developed: DOCK 6 and DOCK 3. Ligand sampling methods used by the program DOCK include. A molecular dynamics engine
6-469: Is a pioneer in the development and conception of the area of study known as molecular docking . One of the first docking programs DOCK was developed in his group in 1982. Tack received his Bachelor of Arts degree in physical chemistry from Princeton University in 1961 and his PhD from the University of California, Berkeley in 1965 for spectroscopic studies of photosynthesis . He moved to
9-456: Was implemented into DOCK v6 by David A. Case's Group in the scoring function AMBER score. This ability accounts for receptor flexibility and allows for rank ordering by energetic ensembles in the docking calculations. Official website Irwin %22Tack%22 Kuntz Irwin Douglas "Tack" Kuntz is an important figure in the field of computer-aided drug design and molecular modeling . He
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