Publications

2018
[124] R. Harijan, Zoi, I., Antoniou, D., Schwartz, S. D., and Schramm, V. L., “

Inverse enzyme isotope effects in human purine nucleoside phosphorylase with heavy asparagine labels

”, Proc. Natl. Acad. Sci. USA, vol. 115, pp. 2609-2616, 2018. pnas_115_e6209_2018.pdf pnas_115_e6209_2018_si.pdf
2017
[113] R. Harijan, Zoi, I., Antoniou, D., Schwartz, S. D., and Schramm, V. L., “

Catalytic-site design for inverse heavy-enzyme isotope effects in human PNP

”, Proc. Natl. Acad. Sci. USA, vol. 114, pp. 6456-6461, 2017. pnas_114_6456_2017.pdf pnas_114_6456_2017_si.pdf
2016
[105] I. Zoi, Suarez, J., Antoniou, D., Cameron, S., Schramm, V. L., and Schwartz, S. D., “

Modulating enzyme catalysis through mutations designed to alter rapid protein dynamics

”, J. Am. Chem. Soc., vol. 138, pp. 3403-3409, 2016. jacs_138_3403_2016.pdf jacs_138_3403_2016_si.pdf
2012
[92] D. Antoniou, Ge, X., Schramm, V., and Schwartz, S. D., “

Mass modulation of protein dynamics associated with barrier crossing in PNP

”, J. Phys. Chem. Lett., vol. 3, pp. 3538, 2012. jpcl_3_3538_2012.pdf
2008
[76] S. Saen-oon, Quaytman, S., and Schwartz, S. D., “

Atomic detail of chemical transformation at the transition state of an enzymatic reaction

”, Proc. Natl. Acad. Sci. USA, vol. 105, pp. 16543, 2008. pnas_105_16543_2008.pdf pnas_105_16543_2008_si.pdf
[75] S. Saen-oon, Ghanem, M., Schramm, V., and Schwartz, S. D., “

Remote mutations and active site dynamics correlate with catalytic properties of PNP

”, Biophys. J., vol. 94, pp. 4078, 2008. biophysj_94_4078_2008.pdf
[74] S. Saen-oon, Schramm, V., and Schwartz, S. D., “

Transition path sampling study of the reaction catalyzed by Purine Nucleoside Phosphorylase

”, Zeit. Phys. Chemie, vol. 222, pp. 1359, 2008. zphyschem_222_1359_2008.pdf
[73] M. Ghanem, Saen-oon, S., Cahill, S., Schwartz, S. D., and Callendar, R., “

Tryptophan-free human PNP reveals catalytic site interactions

”, Biochemistry, vol. 47, pp. 3202, 2008. biochem_47_3202_2008.pdf
2006
[64] S. Nunez, Wing, C., Antoniou, D., Schramm, V., and Schwartz, S. D., “

Insight into catalytically relevant correlated motions in human PNP

”, J. Phys. Chem. A, vol. 110, pp. 463, 2006. jpca_110_463_2006.pdf
2004
[57] J. Mincer, Nunez, S., and Schwartz, S. D., “

Coupling protein dynamics to reaction center electron density in enzymes: an electronic protein promoting vibration in human PNP

”, J. Theor. Comp. Chem., vol. 3, pp. 501, 2004. jtcc_3_501_2004.pdf
[55] S. Nunez, Antoniou, D., Schramm, V., and Schwartz, S. D., “

Electronic promoting motions in human purine nucleoside phosphorylase: a molecular dynamics and hybrid QM/MM study

”, J. Am. Chem. Soc., vol. 126, pp. 15720, 2004. jacs_126_15720_2004.pdf