“Developing Innovative Therapeutics In Musculoskeletal Biology”
Leonard P. Freedman(Women's Health and Musculoskeletal Biology, Wyeth Research, Collegeville, Pennsylvania)
13:00-13:50 “The Discovery of Potent Novel Compounds using a
Fragment Based Structural Approach Coupled with Automated High Throughput
Chemistry.” Dr. Tim Mitchel(CEO, Sareum Ltd), Dr David H.
Williams (Vice President and Founder, Sareum Ltd. 2 Pampisford Park,
Cambridge, CB2 4EE., United Kingdom)
"IBM research carrying out the rhodopsin/lipid/cholesterol simulations on
BlueGene", Mike C. Pitman, Ph. D. (Biomolecular Dynamics and Scalable
Modeling IBM Thomas J. Watson Research Center)
"Structure-Based Ligand Discovery", Malcolm Walkinshaw, Ph.D.
(The University of Edinburgh)
"New Tools for Chemical Data Management and Exploration", John J. Delany III, Ph.D
(Daylight Chemical Information Systems, Inc.)
"Protein Function and Ligand Design: Insights from Simulations",
Professor Martin Karplus (Department of Chemistry & Chemical Biology,
Harvard University)
"Analyses of biological molecules by the Fragment Molecular Orbital (FMO) method: electronic state and dynamics"
, Dr. Yuto KOMEIJI (Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology)
「フラグメント分子軌道法による生体分子の解析:電子状態とダイナミクス」 古明地
勇人(独立行政法人産業技術総合研究所 計算科学部門)
"Molecular simulations of proteins with MDGRAPE-3, a special-purpose computer system", Dr. Makoto TAIJI(Bioinformatics group, GSC, Riken)
「専用計算機MDGRAPE-3によるタンパク質の分子シミュレーション」 泰地
真弘人(理化学研究所ゲノム科学総合研究センター高速分子シミュレーション研究チーム
"Using molecular mechanics for estimating binding free energies:
Methods and Prospects", Dr. David J. Edwards (Director,
Computational Biology, Accelrys)
"Comparison of Two Model Systems Used to Predict Human Intestinal
Absorption: In situ Rat Intestinal Loop and Rat Intestinal Mucosa
Mounted in Ussing Chambers" 新垣 友隆(AbsorptionSystems
社)、濱崎 洋一郎(Lighthouse Data Solutions社)
" Investigation of Molecular Geometries Using Small-Molecule
Crystallographic Data " Dr. Robin Taylor (Cambridge
Crystallographic Data Centre, UK)
" Using Crystallographic Databases to Predict Protein-Ligand
Nonbonded Interactions " Dr. Willem Nissink (Cambridge
Crystallographic Data Centre, UK)
"Breaking down silos: Workflow technology enabling integration
and analysis of data spanning bio- and chemo-informatics" Prof.
Yike Guo (Parallel Computing Center at Imperial College)