Print This PageT.P. Straatsma, Ph.D.
T.P. Straatsma
Expertise
Dr. Straatsma is an internationally recognized scientist with more than 20 years of experience in the development, efficient implementation, and application of advanced modeling and simulation methods as key scientific tools in the study of chemical and biomolecular systems. His current research interests include the application of simulation methods to study microbial membrane mediated geochemical processes at mineral surfaces and transport processes across microbial membranes, and the development and application of novel methods to study complex enzymatic reactions that involve combined electron and proton transfer steps.
Education
- Ph.D., Mathematics and Natural Sciences, University of Groningen, 1987
Honors and Awards
- R&D 100, Molecular Sciences Software Suite, 1999
Professional Affiliations
- Biophysical Society
- American Chemical Society
- Faculty of 1000
Selected Publications
Straatsma TP and JA McCammon. 2001. “Load balancing of molecular dynamics simulation with NWChem.” IBM Systems Journal 40(2):328-341.
Lins RD and TP Straatsma. 2001. “Computer simulations of the lipopolysaccharide membrane of Pseudomonas aeruginosa.” Biophysical Journal 81:1037-1046.
Silva TA, JH Miller, and TP Straatsma. 2001. “Revisiting the Structural Flexibility of the Complex p21ras-GTP: The Catalytic Conformation of the Molecular Switch II.” Proteins. Structure, Function and Genetics 45(4):297-312.
Shroll RM and TP Straatsma. 2003. “Molecular Basis for Microbial Adhesion to Geochemical Surfaces: Computer Simulation of Pseudomonas aeruginosa Adhesion to Goethite.” Biophysical Journal 84(3):1765-1772.
Smith DMA, M Dupuis, ER Vorpagel, and TP Straatsma. 2003. “Characterization of Electronic Structure and Properties of a bis(histidine) Heme Model Complex.” Journal of the American Chemical Society 125(9):2711-2717.
