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Dr. Paul Smith | |||
| Professor and Associate Head | Research Themes | ||
 | pesmith@ksu.edu |    | |
 | King Hall 112 | ||
 | 785-532-5109 (office) | ||
| 785-532-6668 (fax) | |||
 | |||
Biography | |
2016-Present | 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.
