Catalysis by design: The power of theory
224. S. Hammes-Schiffer, “Catalysis by design: The power of theory,” Acc. Chem. Res. 50, 561-566 (2017).
enzyme catalysis
GlcN6P cofactor serves multiple catalytic roles in the glmS ribozyme
/in david, Publications /by Coraline Tao222. J. L. Bingaman, S. Zhang, D. R. Stevens, N. H. Yennawar, S. Hammes-Schiffer, and P. C. Bevilacqua, “GlcN6P cofactor serves multiple catalytic roles in the glmS ribozyme,” Nat. Chem. Biol. 13, 439-445 (2017).
Perspectives on electrostatics and conformational motions in enzyme catalysis
/in Publications /by admin190. P. Hanoian, C. T. Liu, S. Hammes-Schiffer, and S. J. Benkovic, “Perspectives on electrostatics and conformational motions in enzyme catalysis,” Acc. Chem. Res. 48, 482-489 (2015).
Flexibility, diversity, and cooperativity: Pillars of enzyme catalysis
/in Publications /by admin149. G. G. Hammes, S. J. Benkovic, and S. Hammes-Schiffer, “Flexibility, diversity, and cooperativity: Pillars of enzyme catalysis” Biochemistry 50, 10422-10430 (2011).
Coupled motions in enzyme catalysis
/in Publications /by admin131. V. C. Nashine, S. Hammes-Schiffer, and S. J. Benkovic, “Coupled motions in enzyme catalysis,” Curr. Op. Chem. Biol. 14, 644-651 (2010).
Free energy landscape of enzyme catalysis
/in Publications /by admin101. S. J. Benkovic, G. G. Hammes, and S. Hammes-Schiffer, “Free energy landscape of enzyme catalysis,”Biochemistry 47, 3317-3321 (2008).
A perspective on enzyme catalysis
/in Publications /by admin58. S. J. Benkovic and S. Hammes-Schiffer, “A perspective on enzyme catalysis,” Science 301, 1196-1202 (2003).
Network of coupled promoting motions in enzyme catalysis
/in Publications /by admin50. P. K. Agarwal, S. R. Billeter, P. T. Rajagopalan, S. J. Benkovic, and S. Hammes- Schiffer, “Network of coupled promoting motions in enzyme catalysis,” Proc. Natl. Acad. Sci. USA 99, 2794-2799 (2002).
Location
Contact
Sharon Hammes-Schiffer
John Gamble Kirkwood Professor of Chemistry
Sterling Chemistry Lab, Rm 178
Department of Chemistry
Yale University
225 Prospect Street, PO Box 208107
New Haven, CT 06520-8107
Phone: (203) 436-3936
e-mail: sharon.hammes-schiffer@yale.edu
Collaborative Centers
Tags in Publications
[FeFe]-hydrogenase models [NiFe]-hydrogenase models BLUF catalysis coupled motions Density functional theory treatment Dihydrofolate reductase DNA DNA polymerase electron transfer Electron-proton correlation electrostatics enzyme catalysis Escherichia coli Hartree-Fock HDV ribozyme hydride transfer hydrogen atom transfer hydrogen bonding hydrogen evolution hydrogen tunneling inverted region behavior Ketosteroid Isomerase kinetic isotope effect Liver alcohol dehydrogenase metal ion molecular dynamics molecular electrocatalysts multicomponent density functional theory Nonadiabatic dynamics nonadiabaticity Nuclear quantum effects nuclear-electronic orbital photoinduced proton-coupled electron transfer proton relays Proton transfer proton-coupled electron transfer QM/MM real-time nuclear-electronic orbital reorganization energies ribozyme solvent dynamics Soybean lipoxygenase Surface hopping Vibrational analysis