JCUP XI - Tokyo | Sept. 15-16, 2022

The JCUP XI Agenda is available!

JCUP XI is scheduled to happen on September 15-16, 2022.

JCUP is OpenEye's annual Japanese science meeting. An off-shoot of our CUP meeting held in Santa Fe, this meeting aims to bring together our Japanese users with other leading scientists both inside and out of OpenEye to discuss the challenges of drug discovery.

JCUP XI will be held September 15-16, 2022, at the Shinjuku L-Tower Sunsky Room in Shinjuku, Tokyo Japan. Please check back closer to the event date for more details.

The registration page is now ready.

We will have a poster session this year as usual, and welcome your posters for JCUP XI. You may submit your entry on the JCUP XI registration page.

Registration

There is no registration fee required. As usual, luncheon seminar and banquet (this year @ Hyatt Regency Tokyo in Shinjuku) will be free as well. A casual dress code is recommended as usual for JCUP. We look forward to seeing you in September!

Poster Session

We will have a poster session this year as usual, and welcome your poster. You may submit your entry on the JCUP XI registration page.

COVID-19

It appears that the seventh wave of COVID-19 infection in Japan has passed its peak, and we do not expect it to affect the event. However, if you are feeling unwell or otherwise at risk of infection, please take deep consideration and carefully judge on your participation. We may ask all of you to wear masks at the venue in principle.

Venue Information

Shinjuku L-Tower Sunsky Room (https://www.sunskyroom.jp/shinjuku/)

2 minutes walk from JR Shinjuku Station (West Exit), 3 minutes walk from Tochomae Station on Toei Subway Oedo Line

Agenda

DAY 1 - September 15^th

10:00 - 10:30 - Registration
10:30 - 10:45 - Anthony Nicholls - Corporate VP & GM - Research and Development at OpenEye, Cadence Molecular Sciences
“Opening Remarks and Welcome to JCUP”
10:30 - 10:45 - Anthony Nicholls - Corporate VP & GM - Research and Development at OpenEye, Cadence Molecular Sciences
"OpenEye, Cadence Molecular Sciences"
11:20 - 12:05 - Dr. Lillian Chong - Professor at the University of Pittsburg
“Reframing what is feasible for MD – weighted ensemble simulations of protein binding and SARS-CoV-2 spike activation”

12:05 - 12:15 - Break
12:15 - 13:15 pm - Luncheon Seminar with Matt Geballe - Group Director-Research and Development at OpenEye, Cadence Molecular Sciences
“What’s new (since last JCUP) on Apps, TKs, and Orion”
13:15 - 13:30 - Break
13:30 - 14:00 - Dr. Tomohide Masuda -Toray
“Generating 3D Molecules Conditional on Receptor Binding Sites with Deep Generative Models”
14:00 - 14:30 - David LeBard - Scientific Software Director at OpenEye, Cadence Molecular Sciences
“Mechanistic insight into the membrane permeation process of several drug-like molecules from weighted ensemble simulations in Orion”
14:30 - 14:45 - Break
14:45 - 15:15 - Dr. Manabu Sugimoto - Associate Professor at University of Kumamoto
“Connecting Computing-Technology Dots for Drug Discovery: Electronic-Structure Informatics and Some Challenges”
15:15 - 16:00 - Dr. Giovanna Scapin - Chief Scientific Officer at NanoImaging Services
“CryoEM for Drug Discovery - hopes, dreams and reality”
16:00 - 16:30 - Break
16:30 - 19:00 - Poster session/ Banquet (@Hyatt Regency Tokyo)

DAY2, September 16th

09:30-10:00 - Registration
10:00-10:30 - Matt Geballe - Group Director - Research and Development at OpenEye, Cadence Molecular Sciences
A Survey of Machine Learning at OpenEye”
10:30 - 11:00 - Caitlin Bannan - Scientific Developer II at OpenEye, Cadence Molecular Sciences
“Learning from Crystal Structure Prediction Challenges”
11:00 - 11:10 - Break
11:10 - 11:40 - David LeBard - Scientific Software Director at OpenEye, Cadence Molecular Sciences
“Sampling druggable protein conformational states using an automated workflow”
11:40 - 12:10 - Anthony Nicholls - Corporate VP & GM - Research and Development at OpenEye, Cadence Molecular Sciences
“New Theory, Better Calculation of Binding Energies”
12:10 - 12:25 - Break
12:25 - 13:25 - Luncheon Seminar with Caitlin Bannan - Scientific Developer II at OpenEye, Cadence Molecular Sciences
“Gaussian in the Cloud: QM Calculations on Orion”
13:25 - 13:30 - Break
13:30 - 14:00 - Dr. Satoshi Hara - Associate Professor at Osaka University
“Explanation in Machine Learning and Its Reliability”
14:00 - 14:30 - Dr. Hideyoshi Fuji - Founder & CEO of ChemoInfo Co., Ltd.
“Federated Learning meets De Novo Drug Design”
14:30 - 15:00 - Steve Muchmore - Scientific Software Group Director at OpenEye, Cadence Molecular Sciences
“Large Scale Virtual Screening Using Cloud-Based Resources”
15:00 - 15:15 - Break
15:15 - 16:00 - Dr. David Lawson - Senior Director, Structural Chemistry at Mirati Therapeutics
“Structure-Based Drug Design of Targeted Cancer Therapies: The Discovery of MRTX1133, MRTX1719, and MRTX0902”
16:00 - 16:45 - Dr. Kennie Merz - Professor at Michigan State University, Editor-in-chief of the American Chemical Society’s Journal of Chemical Information & Modeling
“Evolution of Alchemical Free Energy Methods in Drug Discovery”
16:45-17:00 - Anthony Nicholls - Corporate VP & GM - Research and Development at OpenEye, Cadence Molecular Sciences
Closing Remarks

(Updated as of September 7, 2022)

Contact Information

For further information, please contact:

OpenEye Japan Co., Ltd.

Phone: +81-3-6441-3707

Email: oe_japan@eyesopen.com