Tokyo, Japan
May 25-26, 2017
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.
Date
May 25 (Thu) & 26 (Fri), 2017
Venue
Ohtemachi Sunsky Room
Asahi Seimei Building 27F Room A, 2-6-1 Otemachi, Chiyoda-ku, Tokyo 100-0004
TEL: 03-3270-3266
Access: JR Tokyo Station (Yaesu North - Nihonbashi Exit) or Tokyo Metro Otemachi Station (B-6 exit)
Facilitator
J. B. Brown, PhD (Kyoto University)
JCUP VIII Program
Thursday, May 25, 2017
10:00 - Registration
10:25 - Opening - J.B. Brown - Kyoto University
10:30 - Anthony Nicholls - OpenEye CEO
11:00 - Joe Moon - OpenEye
11:30 - Grigory Ovanesyan - OpenEye
Solubility Prediction Using Crystal Structure
12:00 - Luncheon Seminar
Greg Warren - OpenEye
MacroMolecular Data Service (MMDS): a cloud-based protein structure service
12:45 - Break
13:00 - Poster Session
15:00 - Break
15:15 - Jeremy Tame - Yokohama City University
Seeing the light with BLUF proteins
15:45 - Sung Jin Cho - CimplSoft
Drug Discovery Using Publicly Available Data
16:30 - Break
16:45 - Masakuni Kurono - Ono
Big Data Visualization and Analysis of HTS and Broad Kinase Panel Profiling Using “Elpis Map” as a Novel User-friendly Application
17:15 - Scott Johnson - MSD
The Legacy and Future of Modeling and Informatics at Merck
18:00 - 20:00 Banquet
Friday, May 26, 2017
10:00 - Ikuo Fukuda - Osaka University
Non-Ewald methods for simply and precisely calculating electrostatic interactions in molecular simulations
10:30 - Adrian Roitberg - University of Florida
11:15 - Uno Tagami - Ajinomoto
Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
11:45 - Break
12:00 - Luncheon Seminar:
Hideyuki Sato - OpenEye Japan
OpenEye's ligand-centric approach to drug discovery
12:45 - Break
13:00 - Greg Warren - OpenEye
Validating Water Placement: Experimental and Computational Methods
13:30 - Geoff Skillman - OpenEye
14:00 - Break
14:15 - David Lawson - Takeda California
15:00 - Hiroyuki Kouji - Oita University
Unstructured Protein: A New Approach for Drug Discovery
15:30 - Break
15:45 - Lidio Meireles - Vertex
Can we predict whether two proteins share common active ligands?
16:30 - Tomohiro Shimada - Teijin Pharma
Structure-Based Rational Design of Novel Oral Bioactive LXR modulators
17:00 - Closing - J.B. Brown - Kyoto University
Posters - May 25, 13:00 - 15:00
Masaaki Kotera - Tokyo Institute of Technology
Simultaneous prediction of enzyme orthologs from chemical transformation patterns for de novo metabolic pathway reconstruction
Hiroshi Izumi - National Institute of Advanced Industrial Science and Technology
Development of Conformational Code for Organic Molecules (CCOM) Program for the Input of Artificial Intelligence
Takao Matsuzaki, Takeshi Tanaka, Ken Ikeda and Hirotsugu Komatsu - Interprotein Corporation
True landscape of drug-protein binding
Kun-Yi Hsin - Okinawa Institute of Science and Technology Graduate University
Case Study of Network Pharmacology-based Prediction and Analysis
Shinri Horoiwa, Airi Sugiura, Takanori Aoki, Yoshiaki Nakagawa, Hisashi Miyagawa - Kyoto University
Design of non-steroidal brassinolide-like compounds using docking simulation and molecular dynamics
Ashutosh Kumar, Masaki Matsuoka, Muhammad Muddassar, Akihisa Matsuyama, Minoru Yoshida, and Kam Y. J. Zhang - RIKEN
Discovery of Fungal Denitrification Inhibitors by Targeting Copper Nitrite Reductase from Fusarium Oxysporum
Christin Rakers, Daniel Reker and J.B. Brown - Nagoya University, MIT and Kyoto University
Chemogenomic active learning : effectively bypassing big data and complex machine learning for high performance modeling of ligand-target matrices.
Sudip Sen - Amazon Web Services
TBA
Burt Leland and Jose Batista (Presenter: Geoff Skillman) - OpenEye
HTS assessment using Maximum Common Substructure Tanimoto
Craig Bruce and Jeff Grandy - OpenEye
The Four Scenarios for Orion + a Potential Free Option
The previous JCUP events