COMPTuesday, August 24, 2004

9:00 AM-12:20 PM Pennsylvania Convention Center -- 109B, Oral
Docking and Scoring
Docking Evaluations
Organizers:Neysa Nevins
Greg Warren
Organizer, Presiding:Georgia McGaughey
9:00 AM Introductory Remarks
9:05 AM BOMB for growing and scoring protein-ligand complexes
William L. Jorgensen, Julian Tirado-Rives
9:35 AM CAPRI: Assessing protein docking algorithms in the blind structure prediction of protein-protein complexes
Joel Janin
10:05 AM Interdependence of docking performance and scoring accuracy in virtual screening
Maria Kontoyianni, Laura McClellan, Glenn Sokol
10:35 AM Intermission
10:45 AM Virtual ligand screening by combined use of two grid-based docking methods, FLOG and ICM
Vladimir N. Maiorov, Robert P. Sheridan
11:15 AM Critical assessment of docking programs and scoring functions
Gregory L. Warren, Webb Andrews III, Anna Maria Capelli, Brian P. Clarke, Judith M. LaLonde, Millard H. Lambert, Mika Lindvall, Neysa Nevins, Catherine E. Peishoff, Simon F. Semus, Stefan Senger, Giovanna Tedesco, Ian D Wall, James M. Woolven, Martha S. Head
11:45 AM Improving the enrichment of high-throughput docking results using machine learning
Anthony E. Klon, Meir Glick, John W. Davies
12:15 PM Concluding Remarks

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Symposium Grid -- Division of Computers in Chemistry -- Session Listing

The 228th ACS National Meeting, in Philadelphia, PA, August 22-26, 2004