Assistant Development
Resume:
Sarah Wittkopp
Sarah
Tschampel
Wittkopp
*** ********* ****, ******, ** 30602
email: ******@****.***.***
phone: 706-***-****
OBJECTIVE:
Implement the computational skills utilized to understand protein-ligand interactions to develop and optimize drug targets.
EDUCATION:, Athens, GA 30602 (December 2005)
Ph.D., Physical Chemistry Advisor: Robert J. Woods
Thesis: "Derivation and application of a TIP5P-consistent biomolecular force field.", Clinton, NY 13323 (Spring 2000)
B.A., Honors in Chemistry Advisor: George C. Shields
Thesis: "The Development of a Transition State Analog for the Hydrolysis of Cocaine.",
Wellington, New Zealand (Spring 1999) Semester Abroad
RESEARCH EXPERIENCE:
Research Assistant,, Athens, GA 30602 (Fall 2000-Present)
Advisor: Dr. Robert J. Woods
- Docking of carbohydrate ligands
- Molecular dynamics simulations
- Computation of ligand binding energies
- Conformational analysis
- Force field parameter development
- Application of ab initio methods, e.g., to compute high-level interaction energies
Research Assistant, (Summer 2001)
Advisor: Dr. George C. Shields
- Utilization of ab initio, density-functional theory, and semi-empirical methods to investigate reaction paths, reaction mechanisms, etc.
COMPUTATIONAL
EXPERIENCE:
OS - LINUX, UNIX, Windows, Mac OS X
Software - AMBER, Gaussian, InsightII, Sybyl, AutoDock, Spartan, Pymol, VMD, Gaussview, Molden, Grasp, Delphi, MOE, Mathematica, etc.
Additional - Perl and Shell Scripting, Scali-Portable Batch System and Sun Grid Engine queuing software
PROFESSIONAL
HONORS:
- Outstanding Presentation
( 2005)
- Educational Foundation
(UGA, 2004)
-
Excellence Award - K. W. Whitten Outstanding Teaching Assistant (, 2003)
-
(, 2003)
- Elihu Root Fellowship (, 2000)
- Donald J. Denney Prize in Physical Chemistry (, 2000)
PUBLICATIONS:
7. Tschampel, S.M., Kirschner K.N., and Woods, R.J. Incorporation of carbohydrates into biomolecular force
fields: Development and validation. In NMR Spectroscopy and Computer Modeling of Carbohydrates:
Recent Advances. Vliegenthart J.F.G. & Woods, R.J. Ed.; American Chemical Society:
Washington, DC (in press)
6. Tschampel, S.M. & Woods, R.J., Derivation of a TIP5P consistent carbohydrate force field (in prep.)
5. Zhan, C., Deng, S., Skiba, J.G., Hayes, B.A., Tschampel, S.M., Shields, G.C., & Landry, D.W., First principle
studies of intermolecular and intramolecular catalysis of protonated cocaine.
J. Comput. Chem. 26(10): 980-***-****.
4. Bosques, C.J., Tschampel, S.M., Woods, R.J., & Imperiali, B., Effects of glycosylation on peptide
conformation: A synergistic experimental and computational study. J. Am. Chem. Soc.
126(27): 842*-****-****.
3. Corzana, F., Motawia, M.S., Herve du Penhoat, C., Tschampel, S.M., Woods, R.J., Perez, S., & Engelsen, S.B.,
A hydration study of (1,4) and (1,6) linked alpha-glucans by comparative 10 ns molecular dynamics simulations
and 600 MHz NMR. J. Comput. Chem. 25(4): 573-***-****.
2. Tschampel, S.M. & Woods, R.J., Quantifying the Role Water of Water in Protein-Carbohydrate Interactions.
J. Phys. Chem. A 107(43): 917*-****-****.
1. Tempel, W., Tschampel, S.M, & Woods, R.J., The Xenograft Antigen Bound to Griffonia Simplicifolia
Isolectin 1-B4: X-ray Crystal Structure of the Complex and Molecular Dynamics Characterization of the
Binding Site. J. Biol. Chem. 277(8): 661*-****-****.
ORAL
PRESENTATIONS:
- Tschampel, S.M. "Advancing the glycosides and glycoproteins in
AMBER (GLYCAM) force field." Physical Chemistry Seminar, Athens, GA (2005)
- Tschampel, S.M. "Appreciable relaxation, TROSY NMR." Physical Chemistry Seminar, Athens, GA (2004)
- Tschampel, S.M. and Woods, R.J., "Advancements in the GLYCAM force field." Protein-Interaction Group (PIGs) Meeting, Athens, GA (2003)
- Tschampel, S.M. and Shields, G.C., "Development of a Transition State Analog for the Hydrolysis of Cocaine." Hamilton College, Clinton, NY (2000)
PROFESSIONAL
EXPERIENCE:
Biomolecular Modeling & Simulation
Teaching Assistant (2003-2005)
Designed and taught web-based tutorial with individual class projects
Chemistry of Drug Discovery & Action
Teaching Assistant (2003-2004)
Led the computational lab in an introduction to the Sybyl program
General Chemistry Lab
Teaching Assistant (2000-2002, 2004)
Reviewed basic concepts and demonstrated challenging procedures
ACS Division of Environmental Chemistry
Assistant Editor (2004-Present)
Write feature articles and updates for the newsletter and website
Complete design of the news page (www.envirofacs.org/news).
POSTER
PRESENTATIONS: 8. Tschampel, S.M. and Woods, R.J. "Development of a TIP5P consistent carbohydrate force field. Part II." NIH Resource Center for Integrated Glycotechnology Meeting, Athens, GA (2005)
7. Tschampel, S.M. and Woods, R.J. "Development of a TIP5P consistent carbohydrate force field." ECCC10, WWW (2005)
6. Tschampel, S.M. and Woods, R.J. "Development of a TIP5P consistent carbohydrate force field." ACS National Meeting, San Diego, CA (2005)
5. Tschampel, S.M., Elking, D., Kennerty, M. and Woods, R.J. "Development of a lone pair inclusive force field." NIH Resource Center for Integrated Glycotechnology Meeting, Athens, GA (2004)
4. Tschampel, S.M. and Woods, R.J., "Rational Development of a lone pair inclusive force field." ACS National Meeting, New York City, NY (2003)
3. Tschampel, S.M. and Woods, R.J., "Are "lone pairs" necessary for hydrogen bond reproduction in classical force fields?" 43rd Sanibel Symposium, St. Augustine, FL (2003)
2. Tschampel, S.M. and Woods, R.J., "Quantifying the Role Water Plays in Protein-Ligand Binding." Vanderbilt Biomolecular Modeling Symposium, Nashville, TN (2002)
1. Tschampel, S.M. and Woods, R.J. "Quantifying the Role Water Plays in Protein-Ligand Binding." ACS National Meeting, Boston, MA (2002)
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