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Department of Chemistry

Paul Smith

   

Dr. Paul Smith

Professor and Associate HeadResearch Area 
emailpesmith@ksu.edu Chemistry
locationKing Hall 112  Research Specialities
phone785-532-5109 (office) Materials
Supramolecular/Nanochemistry
Theoretical

   
785-532-6668 (fax)
Lab Website Link

Biography

2016-Present
2008-2016
2003-2008
1994-2003
1992-1993
1989-1991
1985-1988
1981-1985

Professor and Associate Head
Professor
Associate Professor
Assistant Professor
Eidgenoessiche Technische Hochschule, Zurich
Postdoctoral Associate, University of Houston
Ph.D. University of Liverpool
B.S.. University of Liverpool

Research Associate Position Available, please click here for details

Research Overview

The general focus of the group is the study of the effects of solvent and cosolvents on the structure and dynamics of biomolecules in solution. Our main tool is molecular dynamics simulations which are used to provide atomic level detail concerning the properties of these molecules. In particular, we are attempting to: i) extend the application of computer simulations to more physiologically relevant conditions; ii) characterize the denatured state of proteins as produced by different cosolvents (denaturants); and iii) to understand the interactions between peptides and proteins in solution.

Selected Publications

Conformational analysis part 8: A lanthanide-induced shift nmr investigation of the conformation of amiodarone derivatives.
Raymond J. Abraham, Paul E. Smith, Colette Deleuze, and Vincent Lo Gatto.
Mag. Res. Chem., 25:147-153, 1987.

Charge calculations in molecular mechanics 4: A general method for conjugated systems.
Raymond J. Abraham and Paul E. Smith.
J. Comp. Chem., 9:288-297, 1987.

Charge calculations in molecular mechanics 6: The calculation of partial atomic charges in nucleic acid bases and the electrostatic contribution to DNA base pairing.
Raymond J. Abraham and Paul E. Smith.
Nucleic Acids Res., 16:2639-2657, 1988.

Conformational analysis part 14: A lanthanide-induced shift nmr analysis of indan-1-one and norcamphor.
Raymond J. Abraham, Derek J. Chadwick, Paul E. Smith, and Fernando Sancassan.
J. Chem. Soc. Perkin Trans. II, 1377-1384, 1989.

Charge calculations in molecular mechanics 7: Applications to polar pi systems incorporating nitro, cyano, amino, C=S and thio substituents.
Raymond J. Abraham and Paul E. Smith.
J. Computer-Aided Mol. Des., 3:175-187, 1989.