CCL: Invitation to D3R Blind Challenge Workshop, March 9-11, La Jolla, CA

 Sent to CCL by: "Michael K Gilson" [mgilson^-^ucsd.edu]
 Dear Colleagues:
 We are pleased to invite you to the first Drug Design Data Resource (D3R)
 workshop, March 9-11, at UC San Diego, in La Jolla, CA!
 D3R is an NIH-sponsored initiative to drive validation and improvement of
 computer-aided drug design (CADD) methods through community-wide, blind
 prediction challenges, as well as the interchange of high quality
 protein-ligand data sets and computational workflows.
 The main purpose of the workshop is to present and discuss outcomes of
 the current challenge, which closes February 1 and includes predictions
 of:
 Grand Challenge 2015
   -Ligand poses and/or affinities or affinity rankings for HSP90 with
 about 160 drug-like ligands
   -Ligand poses and/or affinities or affinity rankings for MAP4K4 with
 about 30 drug-like ligands
 SAMPL5
   -Binding thermodynamics of three synthetic hosts (miniature receptors)
 with multiple guests (ligands) in aqueous solution
   -Cyclohexane/water distribution coefficients for about 50 drug-like
 compounds
 The workshop will also be a forum to discuss outcomes, best practices,
 and plans for future challenges and workshops. As detailed in the
 preliminary agenda, it will include talks by challenge participants, as
 well as industrial and academic researchers interested in fostering data
 sharing and the evaluation and effective use of CADD technologies.
 Registration is affordable, and further discounted for students and
 postdocs.  We look forward to seeing you there!
 Please see URLs below for further information and registration.
 Best regards,
 Rommie Amaro, Vicki Feher, Mike Gilson
 Drug Design Data Resource (D3R): https://drugdesigndata.org/
 D3R Workshop: https://drugdesigndata.org/about/1st-annual-d3r-workshop
 Grand Challenge 2015: https://drugdesigndata.org/about/grand-challenge-
 2015
 SAMPL5: https://drugdesigndata.org/about/sampl5
 Preliminary workshop agenda: https://drugdesigndata.org/upload/community-
 components/D3R_flyer_f7e6c85504ce6e82.pdf
 Registration page: https://www.regonline.com/D3R