Funding Agency

Agency
National Institute of Health (NIH)
Institute
National Institute of General Medical Sciences (NIGMS)
Type
Research Project (R01)
Project #
3R01GM056207-07S1
Application #
6797662
Study Section
Molecular and Cellular Biophysics Study Section (BBCA)
Program Officer
Wehrle, Janna P
Project Start
1998-05-01
Project End
2007-04-30
Budget Start
2003-05-01
Budget End
2004-04-30
Support Year
7
Fiscal Year
2003
Total Cost
$29,941
Indirect Cost

  Institution

Name
Pennsylvania State University
Department
Chemistry
Type
Schools of Arts and Sciences
DUNS #
003403953
City
University Park
State
PA
Country
United States
Zip Code
16802

  Publications

Li, Pengfei; Soudackov, Alexander V; Hammes-Schiffer, Sharon (2018) Fundamental Insights into Proton-Coupled Electron Transfer in Soybean Lipoxygenase from Quantum Mechanical/Molecular Mechanical Free Energy Simulations. J Am Chem Soc 140:3068-3076
Hammes-Schiffer, Sharon (2017) Catalysts by Design: The Power of Theory. Acc Chem Res 50:561-566
Bingaman, Jamie L; Zhang, Sixue; Stevens, David R et al. (2017) The GlcN6P cofactor plays multiple catalytic roles in the glmS ribozyme. Nat Chem Biol 13:439-445
Horitani, Masaki; Offenbacher, Adam R; Carr, Cody A Marcus et al. (2017) 13C ENDOR Spectroscopy of Lipoxygenase-Substrate Complexes Reveals the Structural Basis for C-H Activation by Tunneling. J Am Chem Soc 139:1984-1997
Hu, Shenshen; Soudackov, Alexander V; Hammes-Schiffer, Sharon et al. (2017) Enhanced Rigidification within a Double Mutant of Soybean Lipoxygenase Provides Experimental Support for Vibronically Nonadiabatic Proton-Coupled Electron Transfer Models. ACS Catal 7:3569-3574
Ucisik, Melek N; Hammes-Schiffer, Sharon (2017) Effects of Active Site Mutations on Specificity of Nucleobase Binding in Human DNA Polymerase ?. J Phys Chem B 121:3667-3675
Zhang, Sixue; Stevens, David R; Goyal, Puja et al. (2016) Assessing the Potential Effects of Active Site Mg2+ Ions in the glmS Ribozyme-Cofactor Complex. J Phys Chem Lett 7:3984-3988
Ucisik, Melek N; Bevilacqua, Philip C; Hammes-Schiffer, Sharon (2016) Molecular Dynamics Study of Twister Ribozyme: Role of Mg(2+) Ions and the Hydrogen-Bonding Network in the Active Site. Biochemistry 55:3834-46
Soudackov, Alexander V; Hammes-Schiffer, Sharon (2016) Proton-coupled electron transfer reactions: analytical rate constants and case study of kinetic isotope effects in lipoxygenase. Faraday Discuss 195:171-189
Yu, Tao; Soudackov, Alexander V; Hammes-Schiffer, Sharon (2016) Computational Insights into Five- versus Six-Coordinate Iron Center in Ferrous Soybean Lipoxygenase. J Phys Chem Lett 7:3429-33

Showing the most recent 10 out of 50 publications