Tokyo, Japan • June 7-8, 2012
- 16:00 - Takao Matsuzaki Drug Design Advisor
Essential problems in industrial SBDD
- 11:45 - Mike Word OpenEye Scientific Software
Not all waters are alike and why it matters
- 16:30 - Janet Newman CSIRO
Samples for SAMPL
- 11:30 - Junko Taguchi Taiho Pharmaceuticals
Chemistry space analysis by ROCS
OpenEye would like to thank our guest speakers and attendees for their support of JCUP 3. Your enthusiasm and participation is what has made this event a success for the third year in a row. To download presentations from JCUP 3, please click on the title of the linked presentations below.
OpenEye has been holding an annual CUP meeting for the past 13 years (Customers, Users and Programmers) in Santa Fe, New Mexico where OpenEye's main office resides. In Europe, EuroCUP has been held since 2007. In Japan, JCUP started in 2010 with many researchers attending. This year JCUP III will be held on June 7th and 8th. Any researcher, including non-OpenEye users, is welcome to attend this meeting. There is no registration fee to attend any of the CUP events.
We are holding a luncheon seminar “Introduction of GPC computing “ by NVDIA Inc. and SCSK Inc. on June 6th (Thur) accompanied by an exhibition of GPC hardware and demonstration of FastROCS. If you are interested in GPC technology, please take advantage of this great opportunity.
We hope that you can join us.
Proceeding JCUP III, training workshops will be held with an instructor from OpenEye. Workshop dates are Tuesday, June 5th and Wednesday, June 6th.
JCUP is an informal gathering of researchers, please attend in casual attire.
- JCUP registration: May 20th
- Training session: May 20th
AsahiSeimei Ohtemachi building 27F
Access: JR Tokyo Station (Yaesu-North entrance, Nihonbashi Entrance)
Subway: Ohtemachi-station, Tokyo Station (B-6 exit)
June 7 (Thurs)
- 10:00 - Registration
- 10:30 - Anthony Nicholls OpenEye Scientific Software, CEO
Welcome remarks, Introduction of OpenEye
- 11:00 - Stan Wlodek OpenEye Scientific Software
Getting the right intermolecular force field. Implications for hydrogen bonds and stackin
- 12:00 - lunch seminar - Kenichi Hayashi NVIDIA, SCSK
Introduction of GPU computing
- 13:00 Poster session
- 14:30 - Miki Akamatsu Kyoto Univ.
Difference of Substrate Recognition Between Human CYP3A4 and CYP2C19 Based on Metabolite Identification and In Silico Prediction
- 15:00 - Steve Muchmore Abbott
Calculation of ADME Properties: Molecular Similarity as Driving Principle
- 15:30 - Teruki Honma, Hitomi Yuki RIKEN SSBC
Multidirectional similarity and machine learning prediction system LAILAPS
- 16:00 - break
- 17:00 - Kimito Funatsu The University of Tokyo
New Description of Protein-Ligand Interactions Using a Spherical Self-Organizing Map”
- 17:30 - Ed Cannon OpenEye Scientific Software
Lexichem a New Era
- 18:00 - dinner
June 8 (Fri)
- 9:30 - Registration
- 10:00 - Anthony Nicholls OpenEye Scientific Software
Electrostatics: the most difficult problem in molecular modeling, but also the most useful
- 10:30 - Keiko Shinoda The University of Tokyo, Research Center for Advance Science and Technology
Molecular dynamics simulation of a target protein for cancer
- 11:00 - break
- 11:15 - Terry Stouch Science For Solutions
Problems and issues with the interpretation of pharmaceutical data
- 12:15 - luncheon seminar - Geoff Skillman OpenEye Scientific Software
Introduction of Openeye Toolkits<target="blank">
- 13:00 - break
- 13:30 - Arnout Voet Riken Advance Science Institute
Computational design of protein-protein interaction inhibitors: application on the discovery of HIV-1 integrase LEDGF/p75 interaction inhibitors”
- 14:00 - Tom Peat CSIRO
The many sites of HIV integrase: a fragment screening odyssey
- 14:30 - Yoshiaki Watanabe Chugai Pharmaceuticals
The discovery of highly active and selective α2C Adrenoceptor antagonists and the analysis of the ligand-receptor interactions using the homology model
- 15:00 - break
- 15:30 - Krisztina Boda OpenEye Scientific Software
The Art of Chemistry: Visualizing Chemical Information”
- 16:30 - Anthony Nicholls OpenEye Scientific Software, CEO
Registration Fee – Free
Product Training (Programming)
Date: June 5th (Tuesday) 6th (Wednesday), 10:00-17:00
Location: AIOS Toranomon 2F
Content: Creating Applications with PyOEChem Workshop
Two day course presented by an OpenEye Special Instructor.
Limit: 6 people
※ No fee, but advance registration is required.