Computational Group
Computational Chemistry Group
Prof. Gisbert Schneider
Institute of Pharmaceutical Sciences
ETH Zurich
HCI H411
Wolfgang-Pauli-Str. 10
CH-8092 Zurich
Switzerland
Assistant / contact: Mrs. Chrissula Chatzidis
Fon: +41 44 633 74 38
Fax: +41 44 633 13 79
Email: chrissula.chatzidis@pharma.ethz.ch
Klaus Schulten
3147 Beckman Institute
University of Illinois
405 N. Mathews
Urbana, IL 61801
217-244-1604
Email : kschulte@ks.uiuc.edu
Department of Chemistry
University of York
Heslington, York, UK
Tel: (44) (0) 1904 432501
01904 328267
Email: rod@ysbl.york.ac.uk
Bill Goddard III
Cal Tech's Beckman Institute
Charlie Brooks III
Scripps institute in California /
Prof. Dr. Gerhard Klebe
Institut für Pharmazeutische Chemie
Marbacher Weg 6
35032 Marburg (Postanschrift)
35037 Marburg (Paketanschrift)
E-mail: klebe@mailer.uni-marburg.de
Tel.: +49-6421-28-21313
Fax: +49-6421-28-28994
Peter Willet
Department of Information Studies
The University of Sheffield
Room 230, Regent Court
211 Portobello Street
Sheffield, S1 4DP, UK
Tel: 00 44 (0)114 2222633
Fax: 00 44 (0)114 2780300
Email: p.willett@sheffield.ac.uk
Gabriele Cruciali
Uni Perugia
Dr. Tudor I. Oprea
University of New Mexico
School of Medicine, Albuquerque,
New Mexico, United States
Email: toprea@salud.unm.edu
Prof. Dr. Wolfgang Sippl
Martin-Luther-Universität Halle-Wittenberg
Math.-Naturwissenschaftlich-Technische Fakultät
Fachbereich Pharmazie
Institut für Pharmazeutische Chmie
Prof. Thierry LANGER
Innrain 52a, A-6020 Innsbruck
Telefon: +43-512-507-5252
Fax: +43-512-507-2940
Email: Thierry.Langer@uibk.ac.at
Nathan Baker, Ph.D.
Assistant Professor
Department of Biochemistry and Molecular Biophysics
Washington University
St. Louis, MO 63110
Phone: (314) 362-2040
Fax: (314) 362-0234
e-mail: baker@biochem.wustl.edu
http://biochem.wustl.edu/~baker/
Max Berkowitz, Ph.D.
Professor
Department of Chemistry, CB#3290
UNC at Chapel Hill
Chapel Hill, NC 27599
Phone: (919) 962-1218
Fax: (919) 962-2388
e-mail: maxb@unc.edu
http://www.chem.unc.edu/people/faculty/berkowitzml/mlbgroup/
Stephen Bond, Ph.D.
Assistant Professor
Department of Computer Science
University of Illinois at Urbana-Champaign
Department of Computer Science
1304 W. Springfield Avenue
Urbana, IL 61801
http://www.cs.uiuc.edu/people/faculty/bond.html
Jim Briggs, Ph.D.
Assistant Professor
Department of Biology and Biochemistry
University of Houston
Houston, TX 77204-5513
Phone: (713)743-8366
FAX: (713)743-8351
e-mail: jbriggs@uh.edu
Rebecca Wade, D.Phil.
Group Leader
European Media Laboratory
Villa Bosch
Schloss-Wolfsbrunnenweg 33
D-69118 Heidelberg, Germany
Tel: +49-6221-533-247
Fax: +49-6221-533-298
E-mail: rebecca.wade@eml.villa-bosch.de
http://www.embl-heidelberg.de/~wade/
Frank Brown, Ph.D.
Assistant Professor
Department of Chemistry and Biochemistry
University of California,
Santa Barbara
Santa Barbara, CA 93106
(805)893-5494 (voice)
(805)893-4120 (fax)
flbrown@chem.ucsb.edu (email)
http://www.chem.ucsb.edu/new/people/faculty.php?fid=5
Heather A. Carlson, Ph.D.
Searle Assistant Professor of Medicinal Chemistry
University of Michigan
College of Pharmacy (2555 CCL)
428 Church Street
Ann Arbor, MI 48109-1065
Phone: (734) 615-6841
FAX: (734) 763-2022
E-mail: carlsonh@umich.edu
http://www.umich.edu/~pharmacy/MedChem/faculty/carlson/
Volkhard Helms, Ph.D.
Professor
Center for Bioinformatics
Universität des Saarlandes
D-66041 Saarbrücken, Germany
phone: 0681/302-64165
E-mail: volkhard.helms@bioinformatik.uni-saarland.de
Richard Henchman, Ph.D.
Lecturer (beginning 9/04)
Department of Chemistry
University of Manchester
Manchester, UK
CURRENT CONTACT INFORMATION:
Department of Chemistry and Biochemistry
University of California at San Diego
La Jolla, CA 92093-0365
phone: 828 822-1469
fax: 828 534-7042
E-mail: rhenchma@mccammon.ucsd.edu
Gary A. Huber, Ph.D.
Assistant Professor
Department of Bioengineering
University of California San Diego
La Jolla, CA 92093-0412
Phone: (858) 534-4277
FAX: (858) 534-6896
http://www-bioeng.ucsd.edu/grad_brochure/bio_pages/huber.html
Terry Lybrand, Ph.D.
Professor of Chemistry and Structural Biology
Vanderbilt University
Department of Chemistry
VU Station B, 351822
Nashville, TN 37235-1822
Phone: (615)-343-1247
Fax: (615)-343-1234
E-mail: lybrand@structbio.vanderbilt.edu
http://www.vanderbilt.edu/AnS/Chemistry/chemmain/lybrand.htm
Dimitrios Morikis, Ph.D.
Research Associate Professor
Chemical & Environmental Engineering
Bourns College of Engineering
University of California, Riverside
Tel.: (909) 787-2696
Fax: (909) 787-2425
E-mail: dmorikis@engr.ucr.edu
Jens Nielsen, Ph.D.
Lecturer
Department of Biochemistry
Univeristy College Dublin
Merville House
Foster Avenue
Dublin, IRELAND
Régis Pomès, Ph.D.
Assistant Professor
Dept of Biochemistry
University of Toronto
Hospital for Sick Children
555 University Avenue
Toronto, Ontario, Canada M5G 1X8
tel 416 813-5686
fax 416 813-5022
http://bioinfo.med.utoronto.ca/Brochure/Pomes.html
Haluk Resat, Ph.D.
Senior Research Scientist
Pacific Northwest National Lab.
P.O. Box 999, Mail stop K1-83
Richland, WA 99352
Phone: (509) 372-6340
Email: Haluk.Resat@pnl.gov
http://www.emsl.pnl.gov:2080/docs/cbbb/
David Sept, Ph.D.
Assistant Professor
Department of Biomedical Engineering
Washington University
Campus Box 1097
One Brookings Drive
St. Louis, MO 63130-4899
Phone: (314) 935-8837
Fax: (314) 935-7448
Email: dsept@umich.edu
http://biomed.wustl.edu/faculty/sept/
Tjerk P. Straatsma, Ph.D.
Leader
Computational Biochemistry, Biophysics, and Biology Group
Environmental Molecular Sciences Laboratory
Pacific Northwest National Laboratory
P.O.Box 999, MS K1-83
Richland, WA 99352
Email: tps@pnl.gov
Huan-Xiang Zhou, Ph.D.
Professor
Department of Physics
Florida State University
Tallahassee, FL 32306
Phone: 215-895-2716
Fax: 215-895-5934
Email: zhou@sb.fsu.edu
J. Andrew McCammon
Investigator, Howard Hughes Medical Institute
Investigator, NSF Center for Theoretical Biological Physics
Joseph E. Mayer Professor of Theoretical Chemistry
Professor of Pharmacology
University of California at San Diego
Fellow, San Diego Supercomputer Center
David A. Case
Dept. of Molecular Biology,
TPC15 The Scripps Research Institute
10550 N. Torrey Pines Rd.
La Jolla CA 92037 USA
E-mail: case@scripps.edu
Fax: +1-858-784-8896
Phone: +1-858-784-9768
Pavel A. Petukhov
Assistant Professor
Department of Medicinal Chemistry and Pharmacognosy
College of Pharmacy, (M/C 781)
University of Illinois at Chicago
833 S. Wood St. Rm. 539
Chicago, IL 60612
Phone: 312-996-4174
Fax: 312-996-7107
E-mail: pap4@uic.edu
Centre for Structural Biochemistry
Department of Biosciences and Nutrition
Karolinska Institutet
SE-141 57 Huddinge, Sweden
Phone: +46 8 608 9228
Fax: +46 8 608 9290
E-mail: Lennart.Nilsson@biosci.ki.se
Computational biomolecular dynamics group at the
Max Planck Institute for Biophysical Chemistry
Am Fassberg 11
D-37077 Göttingen
Germany
phone: ++49-551-2012308
fax: ++49-551-2012302
Email: bgroot@gwdg.de
Rommie Amaro, Ph.D.
Assistant Professor
Department of Pharmaceutical Sciences
University of California at Irvine
E-mail: ramaro@mccammon.ucsd.edu
http://mccammon.ucsd.edu/~ramaro/Welcome.html
Chia-en Chang, Ph.D.
Assistant Professor of Chemistry
University of California at Riverside
E-mail: cchang@mccammon.ucsd.edu
http://research.chem.ucr.edu/groups/chang/
Maria Kontoyianni, Ph.D.
Assistant Professor, Medicinal Chemistry
School of Pharmacy
Southern Illinois University Edwardsville
220 University Park Drive
Edwardsville, IL 62026-2000
Telephone: 618-650-5166
Fax: 618-650-5145
E-mail: mkontoy@siue.edu
Chung F. Wong, Ph.D.
Associate Professor
Department of Chemistry and Biochemistry
University of Missouri-St. Louis
One University Blvd
St. Louis, MO 63121
phone: 314-516-5318
e-mail: wongch@umsl.edu
http://www.umsl.edu/chemistry/faculty/wong/wong.html
Alemayehu (Alex) Gorfe, Ph.D.
Assistant Professor (starting 1/09)
Department of Integrative Biology and Pharmacology
University of Texas Medical School in Houston
E-mail: abebe@mccammon.ucsd.edu
http://mccammon.ucsd.edu/~abebe/
Donald Hamelberg, Ph.D.
Assistant Professor
Department of Chemistry
Georgia State University
Atlanta, GA
Email: dhamelberg@gsu.edu
http://hamelberg.gsu.edu/
Martin Zacharias, Ph.D.
Professor of Theoretical Biophysics
Technical University (TU) at Munich/Garching
Physik-Department (T38)
James-Franck-Str. 1
85748 Garching
Germany
E-mail: martin.zacharias@ph.tum.de
http://www.t38.physik.tu-muenchen.de/
Assoc. Prof. Hacer BAYRAK
Karadeniz Technical University
Chemistry and Chemical Processing Technology
61750 Trabzon
GSM: +90 530 4119607
Phone: +90 462 377 7639
Fax: +90 462 5123552
e-mail: h.bayrak@ktu.edu.tr
Yingkai Zhang, Ph.D
Assistant Professor
Department of Chemistry
New York University
100 Washington Square East, Room 1001
New York, NY 10003-6688
Phone: 212-998-7882
Email: yingkai.zhang@nyu.edu
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