Tokyo, Japan • June 6-7, 2013
OpenEye would like to thank our guest speakers and attendees for their support of JCUP 4. Your enthusiasm and participation is what has made this event a success for the third year in a row. To download presentations from JCUP 4, please click on the title of the linked presentations below.
OpenEye has been holding our annual CUP (Customers, Users and Programmers) Meeting for the past 14 years in Santa Fe, New Mexico where OpenEye's main office resides. Additionally, EuroCUP has been held in various locations throughout Europe since 2007.
In 2010, OpenEye held our first JCUP in Tokyo, Japan with many researchers attending. This year JCUP IV will be held on June 6th and 7th. Any researcher, including non-OpenEye users, is welcome to attend this meeting. There is no registration fee to attend any of the CUP events.
JCUP is an informal gathering of researchers, so please attend in casual attire.
JCUP IV Meeting Location:
Ohtemachi-SunSky Room
AsahiSeimei Ohtemachi building 27F Room A
Ohtemachi 2-6-1 Chiyoda-ku, Tokyo 100-004 Japan
TEL: +81-3-3270-3266
Access: JR Tokyo Station (Yaesu-North entrance, Nihonbashi Entrance)
Subway: Ohtemachi-station, Tokyo Station (B-6 exit)
Schedule:
June 6 (Thu)
- 10:00 - 10:30 Registration
- 10:30 - 11:00 Anthony Nicholls (OpenEye Scientific Software, CEO)
Welcome remarks
- 11:00 - 11:30 Matt Geballe (OpenEye)
Exploring Binding Pocket Electrostatics with SZMAP
- 11:30 - 12:00 Naoya Nagata (Kaken Pharmaceutical)
SDOVS: A Solvent Dipole Ordering-Based Method for Virtual Screening
- 12:00 - 13:15 Luncheon Seminar
- pKa by database - OpenEye's pKa Prospector (Anthony Nicholls / OpenEye)
- Introduction of OpenEye Toolkits (Joe Corkery / OpenEye)
- 13:15 - 14:30 Poster Session
- 14:30 - 15:00 Yoshiaki Nakagawa (Kyoto University)
Prediction of the ligand-binding modes of various molecules to the molting hormone receptor using docking simulation
- 15:00 - 15:30 Paul Hawkins (OpenEye)
Searching with Statistics: Can we improve pose prediction?
- 15:30 - 16:15 Gaokeng Xiao (Institute of Traditional Chinese Medicine and Natural Products, Jinan University)
Shape-based target prediction and its application to identifying targets of natural products against Alzheimer's disease
- 16:15 - 16:45 Break
- 16:45 - 17:15 Gloria Fuentes (RIKEN SSBC)
Translating ErbB receptor story into clinics: a structural pathology approach
- 17:15 - 18:00 Jeff Blaney (Genentech)
Enabling the Best Structure-Based Design Engine: an Expert Scientist
- 18:00 - 20:00 Buffet Dinner
June 7 (Fri)
- 9:30 - 10:00 Registration
- 10:00 - 10:30 Anthony Nicholls (OpenEye)
The Importance of Statistics in Molecular Modeling
- 10:30 - 11:15 Kim Branson (Hessian Informatics)
Bayes factors in QSAR
- 11:15 - 11:45 Matt Stahl (OpenEye)
Cheminformatics in Spotfire
- 11:45 - 12:45 Luncheon Seminar
Toolkit Presentation Focused on Shape and Spicoli (Paul Hawkins / OpenEye)
- 12:45 - 13:00 Break
- 13:00 - 13:30 Joe Corkery (OpenEye)
New Frontiers at OpenEye: The Cloud
- 13:30 - 14:00 Kazufumi Ohkawa (Mochida Pharmaceutical)
Structure similarity search with the wavelet matrix algorithm
- 14:00 - 14:30 Break
- 14:30 - 15:15 Ed Griffen (Medchemica, ex-AstraZeneca)
Towards Evidence Based Medicinal Chemistry via Big Data Analysis
- 15:15 - 15:45 Satoru Kanai (Pharma Design, Inc.)
Knowledge based Chemical Libraries for Drug Discovery
- 15:45 - 16:15 J.B. Brown (Kyoto University)
Polypharmacology, promiscuity, and perplexity
- 16:15 Anthony Nicholls (OpenEye Scientific Software, CEO)
Closing remarks
JCUP events