Dear
Customers, Users, and Programmers, I’m happy to announce that the twelfth annual CUP meeting will be held Monday March 7th to Wednesday the 9th in Santa Fe, New Mexico. As with last year, the conference will be held at the wonderful Eldorado Hotel (http://www.eldoradohotel.com). We have an exciting schedule (listed below) which includes sessions on theoretical and experimental methods, prediction beyond discovery, shape and electrostatics, myths in modeling and the future of computing. In addition, Monday night we will have our now traditional poster session. We are also planning a pre-meeting session on toolkit programming for Sunday afternoon (March 6th) and a training program on Thursday and Friday (March 10-11). The conference, as always, does not have a registration fee, but we do ask you to register at: http://www.eyesopen.com/cup12-registration. I do hope that you can join us for what promises to be one of the best CUP meetings yet. There are only one or two speaking slots still available, so if you are interested in speaking at one of the industry's most animated meetings, please provide a title and abstract when you register. Poster submissions can also be made at the same time. Additional details about the meeting can be found at: http://www.eyesopen.com/events/cup12. Best regards and wishes for the holiday season. Anthony Nicholls, PhD. CEO, OpenEye Scientific Software, Inc. Sessions Sunday
Afternoon: "Toolkit Session" Monday Morning: "Experimental data that theorists could and should use" Stephen Martin, U. Texas at Austin, "Correlating Structure and Energetics in Protein-Ligand Interactions: Paradigms and Paradoxes" Mike Doyle, Bristol Myers Squibb, "Calorimetric Measurement Ligand-Binding Thermodynamics and Coupled Protonation Reactions." Lyle Isaacs, U. Maryland, “Cucurbit[n]uril Molecular Containers” Nick Levinson, Stanford, "Mapping binding site electrostatics in protein kinases using vibrational Stark effect spectroscopy" Marilyn Gunner, City College, New York. "Tribulations of an experimentalist who tries to model her own data" Monday Afternoon: "Theorists who calculates things experimentalists might want to measure" Jens Erik
Nielsen, U. Dublin, Ireland, "Developing theoretical models for protein
electrostatics consistent with multiple types of experimental
data". OpenEye, "Fast Evaluations of Molecular Entropy" Kennie Merz, Quantum Theory Project, U. Florida., "A little Experimental Information Goes a Long Way to Making Things Right" Mike Gilson, UCSD, "Computational modeling of host-guest and protein-ligand binding" Vijay Pande, Stanford, “If we can put a man on the moon, why can't we put metal in a microwave? Some thoughts on the fundamental limitations of predicting experiments.” Monday Evening: Poster Session Tuesday Morning: "Predictive methods beyond discovery" - Derek Debe, guest organizer. Steve
Muchmore, Abbott Labs, "Amorphous
Blobs of Hope and Other Flights of Fancy" Matthew Segall, Optibrium, "Guiding the design of high quality compounds in drug discovery" Brian Goldman, Vertex Pharmaceuticals, TBA Derek Debe, Abbott Labs, "ALOHA: A generalized probability fusion approach to scoring multi-parameter drug-likeness during the lead optimization stage of drug discovery" Tuesday Afternoon: "Myths of Modelling" Helen
Bermann, Rutgers U., RCSB, "Effective uses of the Protein Data Bank: the
do's and the don'ts" Chris Williams, Chemical Computing Group, "Recent Experiences with Chaos in Docking" Stephen Johnson, Bristol Meyers Squibb, "The myths of prospective QSAR" Ajay Jain, UCSF, "Two BIG Myths!" Levinthal Lecture: Julian Baggini, Author & Philosopher, "Mapping the moral minefield" Wednesday Morning: "Shape and Electrostatics" Tony
Slater, pKaData Ltd. "Shaping the electrostatics with some experimental pKa
data." Ben Ellingson, OpenEye, “Comparison of pattern-based and algorithm-based approaches to tautomer informatics” OpenEye, "Discrete Water Modeling with SZMAP" Scott
Brown, Abbott Labs, "A Probabilistic Framework for
Structure- and Ligand-Based Virtual Screening" Wednesday Afternoon: "Future Computing" Alan
Aspuru-Guzik, Harvard, "Quantum computation for quantum chemistry, dynamics
and lattice model folding" Brian Cole, OpenEye, "ROCking the GPU" Pat Walters, Vertex, “How GPU-Based Cheminformatics Saved My Sanity" Frank Brown, CSO, Accelrys, “Different decade, same story” Wednesday Evening: Conference dinner Thursday
through Friday: Training Program - "Creating Applications
with Python –
OEChem" |