Dear Customers, Users, and Programmers,

=
I=92m 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 wo= nderful Eldorado Hotel (http://ww= w.eldoradohotel.com). We have an exciting schedule (listed below= ) which includes sessions on theoretic= al and experimental methods, prediction beyond discovery, shape and electro= statics, myths in modeling and the future of computing. In addition, Monday= night we will have our now traditional poster session. We are also plannin= g a pre-meeting session on toolkit programming for Sunday afternoon (March = 6th) and a training program on Thursday and Friday (March 10-11). The confe= rence, as always, does not have a registration fee, but we do ask you to re= gister 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 speak= ing slots still available, so if you are interested in speaking at one of t= he industry's most animated meetings, please provide a title and abstract w= hen you register. Poster submissions can also be made at the same time. Add= itional details about the meeting can be found at: http://www.eyesopen.com/events/cup12.

Best regards and wishes for the holiday season.

An= thony Nicholls, PhD.
CEO, OpenEye Scientific Software, Inc.

Se= ssions

Su= nday Afternoon:

"Toolkit Session"

Monday Mornin= g:
"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-B= inding Thermodynamics and Coupled Protonation Reactions."
Lyle Isaa= cs, U. Maryland, =93Cucurbit[n]uril Molecular Containers=94
Nick Levinso= n, Stanford, "Mapping binding site electrostatics in protein kinases u= sing vibrational Stark effect spectroscopy"
Marilyn Gunner, City Co= llege, New York. "Tribulations of an experimentalist who tries to mode= l her own data"

Monday Afternoon:
"Theorists who= calculates things experimentalists might want to measure"
<= /font>

Jens Erik Nielsen, U. Dublin, Irelan= d, "Developing theoretical models for protein electrostatics consisten= t with multiple types of experimental data".
OpenEye, "Fast Ev= aluations of Molecular Entropy"
Kennie Merz, Quantum Theory Project= , U. Florida., "A little Experimental Information Goes a Long Way to M= aking Things Right"
Mike Gilson, UCSD, "Computational modeling= of host-guest and protein-ligand binding"
Vijay Pande, Stanford, = =93If 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.=94<= br>
Monday Evening: Poster Session

Tuesday Morning:
= "Predictive methods beyond discovery" - Derek Debe, guest org= anizer.

Steve Muchmore, = Abbott Labs, <= span style=3D"font-size: 11pt; "> "Amorphous Blobs of= Hope and Other Flights of Fancy"
Matthew Sega= ll, Optibrium, "Guiding the design of high quality compounds in drug d= iscovery"
Brian Goldman, Vertex Pharmaceuticals, TBA
Derek Debe,= Abbott Labs, "ALOHA: A generalized probability fusion approach to sco= ring multi-parameter drug-likeness during the lead optimization stage of dr= ug discovery"

Tuesday Afternoon:
"Myths of Model= ling"

Helen Be= rmann, Rutgers U., RCSB, "Effective uses of the Protein Data Bank: the= do's and the don'ts"
Chris Williams, Chemical Computing Group, &qu= ot;Recent Experiences with Chaos in Docking"
Stephen Johnson, Brist= ol Meyers Squibb, "The myths of prospective QSAR"
Ajay J= ain, UCSF, "Two BIG Myths!"

Levinthal Lecture:
J= ulian Baggini, Author & Philosopher, "Mapping the moral minefield&= quot;

Wednesday Morning:
"Shape and Electrostatics&qu= ot;

Tony Slater, pKaData = Ltd. "Shaping the electrostatics with some experimental pKa data."= ;
Ben Ellingson, OpenEye, =93Comparison of pattern-based and algorithm-b= ased approaches to tautomer informatics=94
OpenEye, "Discrete Water= Modeling with SZMAP"

Scott Brown, Abbott Labs, "A = Probabilistic Framework for Structure- and Ligand-Based Virtual Screening&q= uot;

Wednesday Afternoon:
"Future Co= mputing"

Alan= Aspuru-Guzik, Harvard, "Quantum computation for quantum chemistry, dy= namics and lattice model folding"
Brian Cole, OpenEye, "ROCkin= g the GPU"
Pat Walters, Vertex, =93How GPU-Based Cheminformatics Sa= ved My Sanity"
Frank Brown, CSO, Accelrys, =93Different decad= e, same story=94

Wednesday Evening: Conference dinner<= /font>

Thursday through Fri= day:

Training Program - "Creating Applications with Pyth= on =96 OEChem"

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