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High-Performance Computing and High-End
Visualization |
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70 (40+ active) Research Groups in 27 Depts |
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13 Local Companies |
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10 Local Institutions |
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External Funds: $108M |
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Vendor Contributions: $41M |
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Deliverables |
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350 Publications and Presentations |
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Hardware, Software, Algorithms, etc |
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Training |
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Workshops |
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Courses |
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Degree Programs |
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Dell Linux Cluster - #22 in World |
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600 P4 Processors (2.4 GHz) |
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600 GB RAM; 40 TB Disk |
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Dell Linux Cluster - #187 in World |
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4036 Processors (PIII 1.2 GHz) |
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2TB RAM; 160TB Disk; 16TB RD |
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Private Use |
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Computational Chemistry (King, Kofke, Coppens,
Furlani, Tilson, Lund, Swihart, Ruckenstein, Garvey) |
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Algorithm development & simulations |
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Groundwater Flow Modeling (Rabideau, Jankovic,
Becker, Flewelling) |
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Predict contaminant flow in groundwater &
possible migration into streams and lakes |
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Geophysical Mass Flows (Patra, Sheridan, Pitman,
Bursik, Jones, Winer) |
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Study of geophysical mass flows for risk
assessment of lava flows and mudslides |
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Bioinformatics (Zhou, Miller, Hu, Szyperski –
NIH Consortium, HWI) |
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Protein Folding: computer simulations to
understand the 3D structure of proteins |
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Structural Biology; Pharmacology |
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Computational Fluid Dynamics (Madnia, DesJardin,
Lordi, Taulbee) |
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Modeling turbulent flows and combustion to
improve design of chemical reactors, turbine engines, and airplanes |
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Physics (Jones, Sen) |
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Many-body phenomena in condensed matter physics |
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Chemical Reactions (Mountziaris) |
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Molecular Simulation (Errington) |
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Fakespace ImmersaDesk R2 |
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Portable 3D Device |
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Tiled-Display Wall |
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20 NEC projectors: 15.7M pixels |
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Screen is 11’´7’ |
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Dell PCs with Myrinet2000 |
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Access Grid Node |
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Group-to-Group Communication |
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Commodity components |
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SGI Reality Center 3300W |
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Dual Barco’s on 8’´4’ screen |
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VREX VR-4200 Stereo Imaging Projector |
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Portable projector works with PC |
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Computational Science (Patra, Sheridan, Becker,
Flewelling, Baker, Miller, Pitman) |
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Simulation and modeling |
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Urban Visualization and Simulation (CCR) |
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Public projects involving urban planning |
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Medical Imaging (Hoffmann, Bakshi, Glick,
Miletich, Baker) |
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Tools for pre-operative planning; predictive
disease analysis |
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Geographic Information Systems (CCR, Bisantz,
Llinas, Kesavadas, Green) |
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Parallel data sourcing software |
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Historical Reenactments (Paley, Kesavadas, More) |
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Faithful representations of previously existing
scenarios |
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Multimedia Presentations (Anstey, Pape) |
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Networked, interactive, 3D activities |
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Regional-scale modeling of groundwater flow and
contaminant transport (Great Lakes Region) |
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Ability to include all hydrogeologic features as
independent objects |
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Current work is based on Analytic Element
Method |
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Key features: |
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High precision |
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Highly parallel |
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Object-oriented programming |
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Intelligent user interface |
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GIS facilitates large-scale regional
applications |
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Utilized 10,661 CPU days (32 CPU years) of
computing in past year on CCR’s commodity clusters |
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Integrate information from several sources |
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Simulation results |
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Remote sensing |
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GIS data |
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Develop realistic 3D models of geophysical mass
flows |
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Present information at user appropriate
resolutions |
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Dynamics of Hemoglobin (Example) |
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50 Days of Processing on 16 Processors (800 CPU
Days) |
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Key |
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White – Heme Groups |
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Red – Phe97 |
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Red – Oxygen (in the subunit at bottom) |
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Green – His 69 and 101 |
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Blue – Tyr 72 |
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Cyan (Ball) – Water Molecules |
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Yellow – Helix E/F |
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Interest |
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Flip of the Phe97 ring at top |
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Water movement around Phe97 |
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Heme-heme relative movement |
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Collaboration with Children’s Hospital |
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Leading miniature access surgery center |
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Application reads data output from a CT Scan |
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Visualize multiple surfaces and volumes |
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Export images, movies or CAD representation of
model |
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Collaboration with Buffalo Neuroimaging Analysis
Center (BNAC) |
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Developers of Avonex, drug of choice for
treatment of MS |
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MS Project examines patients and compares scans
to healthy volunteers |
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Compare caudate nuclei between MS patients and
healthy controls |
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Looking for size as well as structure changes |
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Localized deformities |
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Spacing between halves |
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Able to see correlation between disease
progression and physical structure changes |
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StreetScenes® is a Virtual Reality
(VR) software solution for 3D visualization of surface traffic |
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3D model of proposed soccer stadium in Rochester |
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Used StreetScenes® to import output
file from Synchro traffic simulation |
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International Crossing |
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The Problem |
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75 year old bridge |
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3 lanes – poor capacity |
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Existing US plaza: small and poor design |
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Media Study (Anstey, More) |
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Donation of PCs |
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Courses, Students, UB Grant |
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“Alive on the Grid” |
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NSF ITR Grant |
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AVID Software |
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MAE (Kesavadas) |
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Gov. Pataki Visit |
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Peace Bridge (Early) |
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Commodity Projection |
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Classics/MAE (Paley, Kesavadas) |
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Virtual Site Museum, BBC2 |
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H.S. Bioinformatics Program (Pitman) |
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Verizon/Compaq |
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Buffalo Neuroimaging Analysis Center (Bakshi) |
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MS Visualization |
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Children’s Hospital (Glick) |
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CT 3D Viz |
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Dent Neurologic Institute (Miletich) |
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PET Imaging |
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Computer Science & Engineering |
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Crash Lab |
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Library (Dilandro, Bertholf) |
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Darwin Martin House |
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James Joyce Novel On-Line |
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Anthropology (Zubrow) |
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Solar Powered Cluster |
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Management (Jain) & Math (Pitman) |
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Tops Friendly Markets |
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M&T Bank |
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Access Grid Node (too numerous) |
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Campus-Wide Outreach for Conf. |
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Center for Americas |
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Human Rights (China/Sweden) |
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IBC Digital |
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Gov. Pataki Visit |
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Peace Bridge (Early & Current) |
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Buffalo-Niagara Medical Campus |
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Compute Cycles for Animation |
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Bergmann Associates |
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Peace Bridge (Current) |
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NYS Thruway Toll Plaza |
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Azar & More |
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Reenactment of 1901 Pan Am Exhibition |
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PHSCologram & Courses |
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Avid Digital Editing |
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Niagara College |
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Start up |
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Peace Bridge (Current) |
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Hauptman-Woodward Medical Research Institute |
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Computing |
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Collaboratory |
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The Children’s Hospital of Buffalo |
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Medical Visualization |
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Veridian |
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Battlespace Management |
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Leadership |
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Director & Associate Director |
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Clerical |
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Office Manager; Budget; Receptionist; |
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Computational Scientists |
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Comptutational Chemistry, Comptutational Physics |
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Bioinformatics, Scientific Visualization |
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Programmers |
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Bioinformatics, Database, MultiMedia |
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System Administrators |
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Sysadmins (5), SAN admin, Web/Help Desk |
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Soft Money |
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Post-Docs (4) |
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Bachelor’s & Master’s Program in
Bioinformatics |
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Related Disciplines |
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Chemical Biology |
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Computational Chemistry |
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Environmental Analysis (Sloan Support) |
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Medical Informatics (Sloan Support) |
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Advanced Degrees under Development |
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Pharmacometrics, Biophotonics |
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UB-HWI Department of Structural Biology |
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Complementary Degrees |
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Canisius College |
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Niagara University |
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“This Center [of Excellence in Bioinformatics]
will, through the University of Buffalo’s Center for Computational
Research, create academic and industrial partnerships …” |
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- NYS Gov. George S. Pataki, January 2001 |
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miller@buffalo.edu |
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www.ccr.buffalo.edu |
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Notes
