Daniel Roston

DEPT: Chemistry                               

MENTOR(S): Amnon Kohen           
SOURCE(S) OF SUPPORT: CBB/NIH Fellowship, Mentor’s Grants

Hamilton College BA 2007 Chemistry
University of Iowa PHD 2013 Chemistry

A. Lynn Anderson Award for Research Excellence, Outstanding TA Award

5 semesters as TA for the following classes: Organic Chemistry I-II and Physical Chemistry I-II.

RESEARCH EXPERIENCE (prior to entering program):
Undergraduate Research Fellow, Hamilton College; Research Assistant, Columbia University.

Post-doctoral research fellow at the University of Wisconsin Department of Chemistry under the supervision of Professor Qiang Cui. Primary research involves multi-scale simulations of enzymatic processes

University of Wisconsin     Qiang Cui Computational Enzymology  06/2013  06/2013

APPLICATION(S) FOR FUNDING (BUT THIS PROGRAM):                              
NIH F32 Post-doc Fellowship Funded; Project Start date 06/01/2015

1) Roston, D.; Kohen, A. Elusive Transition State of Alcohol Dehydrogenase Unveiled. Proc. Natl. Acad. Sci. USA. 2010, 107, 9572-9577.
2) Kohen, A.; Roston, D.*; Stojković, V.*; Wang, Z.* Kinetic isotope effects in enzymes. In Encyclopedia of Analytical Chemistry (R. A. Meyers, Ed.), 2011, Vol. S1-S3, pp. 77-99.
3) Wang, Z.*; Roston, D.*; Kohen, A. Experimental and theoretical studies of enzyme-catalyzed hydrogen transfer reactions. Adv. Prot. Chem. Struct. Biol. 2012, 87, 155-180.
4) Roston, D.; Cheatum, C.M.; Kohen, A. Hydrogen Donor-Acceptor Fluctuations from Kinetic Isotope Effects: A Phenomenological Model. Biochemistry. 2012, 51, 6860-6870.
5) Roston, D.*; Islam, Z.*; Kohen, A. Isotope Effects As a Probe For Enzyme Catalyzed Hydrogen-Transfer Reactions. Molecules. 2013, 18, 5543-5567.
6) Roston, D.; Kohen, A. A Critical Test of the “Tunneling And Coupled Motion” Concept In Enzymatic Alcohol Oxidation. J. Am. Chem. Soc. 2013, 135, 13624-13627. (Communication)
7) Roston, D.; Kohen, A. Stereospecific Multiple Isotopic Labeling of Benzyl Alcohol. J. Label. Comp. Radiopharma. 2014, 57, 75-77.
8) Roston, D.*; Islam, Z.*; Kohen, A. Kinetic Isotope Effects as a Probe of Hydrogen Transfers to and from Common Enzymatic Cofactors. Arch. Biochem. Biophys. 2014, 544, 96-104.
9) Kashefolgheta S.; Hammann, B.; Razzaghi, M.; Eilers, J.; Roston, D.; Lu, Y. Computational replication of the Abnormal Secondary Kinetic Isotope Effects in a Hydride Transfer Reaction in Solution with a Motion Assisted H-Tunneling Model. J. Org. Chem. 2014, 79, 1989-1994.
10) Roston, D.; Kohen, A.; Doron, D.; Major, D.T. High level Simulations of Remote Mutants of Dihydrofolate Reductase Reveal the Nature of a Network of Residues Coupled to Hydride Transfer. J. Comp. Chem. 2014, 35, 1411-1417. (Cover Article)
11) Goyal, P.; Qian, H.J.; Irle, S.; Lu, X.; Roston, D.; Mori, T.; Elstner, M.; Cui, Q. Molecular simulation of water and hydration effects in different environments: challenges and developments for DFTB based models. J. Phys. Chem. B, 2014, 118, 11007–11027. *Equal authorship