University
of California
San
Francisco
Year
2000
DOCK
User Group Meeting
San Francisco, CA
October 15-16, 2000 |
|
Approximately 90 members of the worldwide
DOCK
user
community attended the Year 2000 DOCK User Group Meeting in San Francisco
on October 15-16, 2000, chaired by Professor
Irwin Kuntz. DOCK, developed by Professor Kuntz's group, uses
database and graph theoretic techniques to suggest molecules with good
steric and chemical complementarity to protein and nucleic acid receptors
of known structure. The meeting addressed issues of free energy,
scoring, and combinatorial design. Applications of the technique
include virtual library design and construction and screening. The DOCK
User Group Meeting and the AMBER
Developers Meeting ran concurrently this year providing opportunities for
the two groups to interact at breaks, meals and poster sessions.
PROGRAM
Sunday
October 15, 2000
UCSF
Millberry Union - Parnassus Campus
500
Parnassus Avenue
San
Francisco, CA 94143
City Lights Room
Informal Welcome
/ Reception
4:00 - 6:00 PM
Monday
October 16, 2000
UCSF
Laurel Heights Conference Center
3333
California Street
San
Francisco, CA 94118
| Speakers
Juan Alvarez, Wyeth-Ayerst
Research
Martin Stahl, Roche
Biosciences
&
Jim Arnold, Keith Burdick, Ken Foreman,
Xinshan Kang, I.D.
Kuntz, Jose Haresco, Ken Lind, Demetri Moustakas, Scott Pegg, Sam Toba
University
of California, San Francisco
Schedule
8:00 - 9:00: Continental Breakfast
Session 1:
OVERVIEW |
|
| 9:00 |
I.D. Kuntz -
Introduction |
| 9:15 |
J. Alvarez
-
Keynote: "Docking of Flexible Ligands Using Pharmacophoric Ensembles" |
| 10:15 |
Break |
| 10:45 |
I.D. Kuntz
-
"DOCK Methodology: Overview and Future Directions" |
| 11:30 |
M. Stahl -
"Virtual Screening at Roche: Practical Applications and Extensions of FlexX" |
| 12:30
- 2:00: Lunch and Poster Session |
|
| Session
2: METHODS |
|
| 2:00 |
D. Moustakas
-
"Object Oriented DOCK" |
| 2:45 |
S. Toba/K. Burdick
-
"MLMT: Design of Multiple Libraries Against Multiple Targets" |
| 3:30 |
J. R.
Arnold, K.W. Burdick, S. H-C Pegg, S.
Toba, M. Lamb, F. Lu, T. Aynechi, T.A. Robertson, R.K. Guy and I.D. Kuntz
- "Classification of Protein Binding Sites and Design of General Purpose
Organic Scaffolds from Biological Motifs" |
| 4:00 |
Break |
| 4:30 |
K. Lind/X. Kang
-
"Nucleic Acid Docking" |
| 5:00 |
K. Foreman
- "GuDOCK: Rapid Searches over Binding Landscapes" |
| 5:30 |
S. Pegg/ J. Haresco
- "Genetic Algorithm for Exploring Chemical Space" |
| 6:00 - 7:00: Informal
Discussion |
|
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