Departments of Chemistry and Molecular Biosciences University of Kansas

Photo credit: KU University Relations

EDUCATION:

M.Sc., Biophysics, 1980, Warsaw University, Warsaw, Poland. Advisor: Andrzej Pohorille. Thesis: Study of the influence of hydration on the tautomeric equilibrium of 2-oxopyrimidine by Monte Carlo methods.

Ph.D., Physics, 1985, Institute of Physics, Polish Academy of Sciences, Warsaw, Poland. Advisor: Krystyna Szczepaniak Thesis: Theoretical interpretation of the IR-spectroscopic properties of model biological compounds.

PROFESSIONAL EXPERIENCE:

2007 - present	Professor	Departments of Chemistry and Molecular Biosciences, University of Kansas
1998 - 2007	Associate Professor	Departments of Chemistry and Molecular Biosciences, University of Kansas
1992 - 1998	Assistant Professor	Departments of Chemistry and Biochemistry, Cell and Molecular Biology, University of Kansas
July 2007	Visiting Professor	Department of Chemistry and Biochemistry, Baylor University.
June 1995	Visiting Professor	Interdisciplinary Center for Mathematical and Computational Modeling, Warsaw University,
1993 - present	Member	Kansas Institute for Theoretical and Computational Science
1989 - 1991	Research Associate	Department of Chemistry, Harvard University
1986 - 1989	Postdoctoral Fellow	Department of Chemistry, Harvard University
1984 - 1986	Research Assistant	Institute of Physics, Polish Academy of Sciences
1980 - 1984	Graduate Research Assistant	Institute of Physics, Polish Academy of Sciences

HONORS and AWARDS:

Polish Academy of Sciences Project Award, 1985; Polish Academy of Sciences Distinguished Student Award, 1980; Scientific Scholarship for Distinguished Students, Warsaw University, 1975-1980; American Heart Association Award "Molecular dynamics simulations of Calmodulin, $47,000, 1995; ACS PRF Award "Exploration of molecular free energy landscapes", $20,000, 1995; K*STAR EPSCoR FIRST Award "Exploration of molecular free energy landscapes", $15,000, 1995; ASTUTE Quest for the Best Award for use of computers in education, "Web-based molecular modeling class for chemistry and biochemistry", $4,000, 1997; Selected for participation in Course Redesign Colloquium at University of Kansas (2006); Big XII Fellowship, University of Kansas (2007); Visiting Professor, Baylor University (July 2007); Graduate Student Teaching Recognition, Molecular Biosciences Department (2007); W.T. Kemper Fellowship for Teaching Excellence, University of Kansas (2007); Institute of Computational Engineering and Sciences Visiting Fellowship, University of Texas, March 2008, April 2011 and march 2013.

RESEARCH INTERESTS:

My research is in computer modeling of structure, dynamics and interactions in complex molecular systems, with focus on biomolecules and their models, solutions and liquid mixtures. I am especially interested in the biological function of biomolecular motions at different levels, from sidechains to loops, domains and whole macromolecules. A second area of interest is the influence of the enviroment on molecular structure and dynamics, including effects of lipid membranes, stabilizing and destabilizing co-solvents, viscogens, temperature, pH and external forces. My goals are to relate the detailed, fundamental microscopic information provided by the calculations to real observable properties, such as spectroscopic or thermodynamic measurements, catalytic reaction rates, cell signaling and regulation of metabolic processes. Besides providing a basic understanding, the simulation results yield predictions on how to manipulate molecular systems for practical purposes, such as designing proteins with desired properties, creating potent and specific drugs, formulating biotechnology products with longer shelf life or creating optimal reaction media for chemical processing. The wider significance of the research is in improving our knowledge of fundamental chemistry and biology, as well as the molecular basis of human health and materials science.

In the area of education, I am interested in introducing active learning, interdisciplinary connections, problem solving, molecular modeling and data analysis into chemistry and biology classes.

For more details, see my pulication list or the illustrated abstracts.

POSTDOCTORAL ADVISOR:

Martin Karplus, Department of Chemistry, Harvard University, Cambridge, MA 02138, USA. Tel: (617) 495-4018

GRADUATE ADVISOR:

Prof. Krystyna Szczepaniak, Department of Chemistry, University of Florida, Gainesville, FL 32611, USA. (deceased)

PAST and PRESENT GROUP MEMBERS:

Students: Gary Papoyan (M.S. Chem. '95, joint with K. Bowman-James), Minli Xie (M.S. Pharm. '95, joint with R. L. Schowen), Eric Barth (M.S. Math., '95, joint with B. L. Leimkuhler), Yan Wang (Ph.D. Chem. '97), Ann Hermone (Ph.D. Biochemistry '98), Kyung-Hoon Lee (Ph.D. Chemistry, '00), Janaki Mahadevan (Ph.D. Chemistry, '01), Mengmeng Wang (Ph.D. Molecular Biosciences, '04), Qinyi Cheng (M.S. Molecular Biosciences, '04), Chen Hu, (M.S. Molecular Biosciences, '05), Ranjitha Venkataramani (M.S. Chemistry, '07), Sumin Cai (Ph.D. Biochemistry, 2008), Sudarshan Parthasarathy (Ph.D. Biochemistry, 2011). Brent Lee (Chemistry). Jinyan He (Chemistry).

Postdocs: Gouri Jas (1995-97), Cheng Yang (1999-2002), Yao Houndonougbo (2002-2007), Joanna Wiorkiewicz-Kuczera, Agnieszka Slowicka.