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• Alberto Gobbi, Genentech -
Handling Tautomers and Uncertain
Stereochemistry in Compound Registration
Download
• Viktor Hornak,
Merck - Comparison of robustness and
quality of several small molecule
force-fields Download
• Clinton Threlfall,
Critical Outcome Technologies - Some
Probable Binding Modes of Flt3 Inhibitors
Download
• Tom Darden - How to
Sample Rotations Download Talk
Download
• Laszlo Fusti Molnar
- Optimizing new intermolecular
interaction force fields to CCSD(T) CBS
energies Download
• Paul Hawkins -
Conformational Sampling in the Solid State
Download
• Brian Kelley -
ShapeFit: poser or poseur? Download
• Generating
Conformation Models using OMEGA:
Predicting RMSD needed for a desired
number of conformers, Yvonne Borodina,
NIH/NCBI Download
• Reproducing
Bio-Active Conformations with Catalyst,
Omega 2 and Macromodel Wolber, Inte:Ligand
GmbH; Christian Laggner, University of
Innsbruck; Thierry Langer, University of
Innsbruck Download
•Mark McGann, Hybrid Docking and
Consensus Methods Download
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