2011-05 | JCUP II | Tokyo, JP

Posted by OpenEye Scientific on May 19, 2011 12:00:00 AM

Tokyo, Japan • May 19-20, 2011

OpenEye has been annually holding CUP(Customers, Users and Programmers meeting) in the USA and EuroCUP in Europe. Last year the first J-CUP was successfully attended in Japan. This year we are holding J-CUP II on May 19 and 20th (see below for detail).

J-CUP II is a great conference to exchange latest knowledge in molecular modeling and we invited 5 lecturers from overseas. We are also interested in active participation from Japanese scientists. If you are interested in presenting your research at the conference ( free format post presentation), please provide a title and abstract when you register.

At this meeting we are providing several pre-and post-meeting training workshops by OpenEye instructors. These training workshops normally require registration fees, however, just for the first time in Japan we are providing them for free. If you are interested, please inquire.

Everyone involved in drug discovery is invited to J-CUP, however, we ask you to register. We are hoping to keep this conference as informal and friendly as possible. Please dress in causal attires (no necktie, no business suits).

schedule:

May 19th (Thur) 

    12:30 Registration
      13:00-13:30
Anthony Nicholls
      (OpenEye Scientific Software, CEO)
Welcome remarks
    Introduction of OpenEye
      13:30-14:00
Bob Tolbert
      (OpenEye Scientific Software, VP)
GraphSim 2.0 and the new Grapheme TK
      14:00-14:30
Koji Oda
      (Taisho)
Development of converting system between chemical names and chemical structures by Lexichem and Pipeline Pilot
    14:30-14:50 Break
      14:50-15:20
Peter Kenny
      ( former AstraZeneca)
Fragments, Molecular Complexity and Screening Library Design
      15:20-15:50
Kiyoshi Hasegawa
      (Chugai(Roche))
In silico mouse clearance model and its visualization in chemical space
    15:50-16:10 Break
      16:10-16:40
Pat Walters
      (Vertex Pharmaceuticals)

Software for drug discovery: Are we solving the most relevant problems?
      16:40-17:10
Joe Corkery
      (OpenEye Scientific Software, VP)
FastROCS: Revolutionizing Drug Discovery on the GPU
    17:10-18:00 Poster session
    18:00-20:00 Dinner

May 20th (Fri)

    9:00 Registration
      9:30-10:00
Jeremy Tame
      (Yokohama City University)
Some thoughts on scoring functions
      10:00-10:30
Hideyuki Sato
      (OpenEye Japan)
OEDocking: Structure-based Drug Discovery at OpenEye
      10:30-11:00
J.B.Brown
      (Kyoto Univ)
Experimental polypharmacology discovery based on chemical genomics-based virtual screening part I

Experimental polypharmacology discovery based on chemical genomics-based virtual screening part II

      11:00-11:30
Tomohiro Sato
      (RIKEN SSBC)
Machine learning of comprehensive 3D-shape matching with known inhibitors for efficient virtual screening
    11:30-12:30 Lunch
      12:30-13:00
Andy Good
      (Genzyme Corp.)
Modeling for the masses and the seduction of simplicity: From interfaces to interaction
      13:00-13:30
Anthony Nicholls
      (OpenEye Scientific Software, CEO)
Design strategies using SZMAP and Semi-continuum Theory
    13:30-13:45 Break
      13:45-14:15
Takao Matuzaki
      (InterProtein/Drug Discovery Consultant)
In silico screening of small molecular PPI inhibitors
      14:15-14:45
Kam Zhang
      (RIKEN Advanced Science Institute)
Scaffold-Based Discovery of a Novel Selective Inhibitor of Oncogenic B-Raf Kinase with Potent Anti-Melanoma Activity
    14:45-15:00 Break
      15:00-15:30
Christopher Bayly
      (OpenEye Scientific Software)
Rapid Estimation of the Entropy of Ligand Binding
      15:30-16:00
Hideaki Fujitani
      (University of Tokyo)
KEI 10 peta flops supercomputer aided drug design
    16:00 Closing Remark

poster

Takao Matsuzaki, Hajime Morishima, Yasuhiko Koezuka, Tohru Takashima, Manabu Itoh, Hirotsugu Komatsu, & Masato Hosoda
        (Drug Design Advisor, Interprotein Corp.)
In silico screening of small molecular PPI inhibitors
Seiya Kitamura, Toshiyuki Harada, Yoshiaki Nakagawa, & Hisashi Miyagawa
        (Kyoto University)

Modification of novel ligands for molting hormone receptor that were found by insilico screening: docking simulation, synthesis, and bioassay

Yuichiro Takamatsu

        (RCAST, The University of Tokyo)

Molecular modeling and analysis for antibody affinity improvement by computational mutageneis and molecular dynamics simulation

Krisztina Boda

        (OpenEye Scientific Software- presented by Bob Tolbert)

GraphSim 2.0

Krisztina Boda

        (OpenEye Scientific Software- presented by Bob Tolbert)

Visualizing Molecule Similarity

Laszlo Fusti-Molnar

        (OpenEye Scientific Software)
Accuracy Comparisons of different force fields

Nobuko Hamaguchi & Stan Wlodek

        (OpenEye Scientific Software)
Fast Entropy estimation. Does it work?

Mark McGann

        (OpenEye Scientific Software)
Comparison of FRED to Other Docking Programs

Matthew T. Stahl

        (OpenEye Scientific Software)
Interactive Shape Match and Results Analysis

★ Product Training(Molecular design)

date:5/17(Tues)5/18(Wed)

location:location changed!!Aios Gotandaekimae 3F MeetingRoom 1 

   1-11-1 Nishi-Gotanda, Shinagawa-ku, Tokyo

   http://www.aios-jp.com/office/gotandaeki/access.html

details:Shape-Based Virtual Screening Workshop. Two day training workshop by OpenEye instructors.

limits:10 people

※ No fee, but an advance registration is required.

※ This is a hand-on training session, Please bring your laptop.

※ We may limit to one attendance from a company if we receive more applications than 10. OpenEye software users will be given priority.

★ Product Training(Programming)

date:5/23 (Mon)5/24(Tues)

location:location changed!!Aios Gotandaekimae 3F MeetingRoom 1 

details:OEChem Python Workshop. Two day training workshop by OpenEye instructors.

limit:10 people

※ No fee, but an advance registration is required.

※ This is a hand-on training session, Please bring your laptop.

※ We may limit to one attendance from a company if we receive more applications than 10. OpenEye software users will be given priority.。

JCUP events

JCUP I
JCUP II
JCUP III
JCUP IV
JCUP V
JCUP VI
JCUP VII

Topic: Event, JCUP, CUP Event