Publications

2016
[108] M. Dzierlenga, Varga, M., and Schwartz, S. D., “

Path sampling methods for enzymatic quantum particle transfer reactions

”, Methods in Enzymology, vol. 577, pp. 21-43, 2016. methenz2016.pdf
[107] M. Varga and Schwartz, S. D., “

Enzymatic kinetic isotope effects from first-principles path sampling calculations

”, J Chem Theory Comput, vol. 12, pp. 2047-2054, 2016. jctc_12_2047_2016.pdf
2015
[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