Publications

2017
[111] M. Varga, Dzierlenga, M., and Schwartz, S. D., “

Structurally linked dynamics in lactate dehydrogenases of evolutionarily distinct species

”, Biochemistry, vol. 56, pp. 2488-2496, 2017. biochem_56_2488_2017.pdf
2016
[110] X. Pan and Schwartz, S. D., “

Conformational heterogeneity in the Michaelis complex of LDH: an analysis of vibrational spectroscopy using Markov and hidden Markov models

”, J. Phys. Chem. B, vol. 120, pp. 6612-6620, 2016. jpcb_120_6612_2016.pdf jpcb_120_6612_2016_si.pdf
[109] M. Dzierlenga and Schwartz, S. D., “

Targeting a rate-promoting vibration with an allosteric mediator in Lactate Dehydrogenase

”, J. Phys. Chem. Lett., vol. 7, pp. 2591-2596, 2016. jpcl_7_2591_2016.pdf jpcl_7_2591_2016_si.pdf
[104] D. Antoniou and Schwartz, S. D., “

Phase space bottlenecks in enzymatic reactions

”, J. Phys. Chem. B, vol. 120, pp. 433-439, 2016. jpcb_120_433_2016.pdf
2015
[102] X. Pan and Schwartz, S. D., “

Free Energy Surface of the Michaelis Complex of Lactate Dehydrogenase: A Network Analysis of Microsecond Simulations

”, J. Phys. Chem. B, vol. 119, pp. 5430-5436, 2015. jpcb_119_5430_2015.pdf jpcb_119_5430_2015_si.pdf
[101] M. Dzierlenga, Antoniou, D., and Schwartz, S. D., “

Another Look at the Mechanisms of Hydride Transfer Enzymes with Quantum and Classical Transition Path Sampling

”, J. Phys. Chem. Lett., vol. 6, pp. 1177-1181, 2015. jpcl_6_1177_2015.pdf jpcl_6_1177_2015_si.pdf
2014
[97] J. Masterson and Schwartz, S. D., “

The enzymatic reaction catalyzed by lactate dehydrogenase exhibits one dominant reaction path

”, Chem. Phys., vol. 442, pp. 132-136, 2014. chemphys_442_132_2014.pdf
2013
[96] J. Masterson and Schwartz, S. D., “

Changes in protein architecture and subpsec protein dynamics impact the reaction catalyzed by LDH

”, J. Phys. Chem. A, vol. 117, pp. 7107, 2013. jpca_117_7107_2013.pdf
2011
[86] A. Davarifar, Antoniou, D., and Schwartz, S. D., “

The promoting vibration in LDH is a preferred vibrational channel

”, J. Phys. Chem. B, vol. 115, pp. 15439, 2011. jpcb_115_15439_2011.pdf
2010
[82] E. Pineda, Antoniou, D., and Schwartz, S. D., “

Slow conformational motions that favor sub-ps motions important for catalysis

”, J. Phys. Chem. B, vol. 114, pp. 15985, 2010. jpcb_114_15985_2010.pdf
2009
[80] S. Quaytman and Schwartz, S. D., “

Comparison studies of human heart and bacillus stearothermophillus LDH by Transition Path Sampling

”, J. Phys. Chem. A, vol. 113, pp. 1892, 2009. jpca_113_1892_2009.pdf
2007
[69] E. Pineda, Callendar, R., and Schwartz, S. D., “

Ligand binding and protein dynamics in lactate dehydrogenase

”, Biophys. J., vol. 93, pp. 1474, 2007. biophysj_93_1474_2007.pdf
[68] S. Quaytman and Schwartz, S. D., “

Reaction coordinate of an enzymatic reaction revealed by transition path sampling

”, Proc. Natl. Acad. Sci. USA, vol. 104, pp. 12253, 2007. pnas_104_12253_2007.pdf
2005
[58] J. Basner and Schwartz, S. D., “

Enzyme dynamics helps catalyze a chemical reaction in atomic detail: a transition path sampling study

”, J. Am. Chem. Soc., vol. 127, pp. 3822, 2005. jacs_127_13822_2005.pdf