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Proteins|May 30, 2009
On the origin of the catalytic power of carboxypeptidase A and other metalloenzymesAlexandra Vardi Kilshtain, Arieh WarshelBiochemistry|January 24, 2009
Toward accurate screening in computer-aided enzyme designMaite Roca, Alexandra Vardi-Kilshtain, Arieh WarshelBiotechnology Journal|February 21, 2009
The empirical valence bond as an effective strategy for computer-aided enzyme designAlexandra Vardi-Kilshtain, Maite Roca, Arieh WarshelBiochemistry|May 23, 2013
Quantum and classical simulations of orotidine monophosphate decarboxylase: support for a direct decarboxylation mechanismAlexandra Vardi-Kilshtain, Dvir Doron, Dan Thomas MajorJournal of Computational Chemistry|November 29, 2011
Path-integral calculations of heavy atom kinetic isotope effects in condensed phase reactions using higher-order Trotter factorizationsAlexandra Vardi-Kilshtain, Asaf Azuri, Dan Thomas MajorArchives of Biochemistry and Biophysics|March 15, 2015
Nuclear quantum effects and kinetic isotope effects in enzyme reactionsAlexandra Vardi-Kilshtain, Neta Nitoker, Dan Thomas MajorCurrent Pharmaceutical Design|November 13, 2020
Discovery of Novel GABAAR Allosteric Modulators Through Reinforcement LearningAmit Michaeli, Immanuel Lerner, Maria Zatsepin, et al.The Journal of Biological Chemistry|June 17, 2017
The role of the Met<sup>20</sup> loop in the hydride transfer in <i>Escherichia coli</i> dihydrofolate reductaseAnil R Mhashal, Alexandra Vardi-Kilshtain, Amnon Kohen, et al.Protein Science : a Publication of the Protein Society|June 4, 2014
Enzyme structure captures four cysteines aligned for disulfide relayYair Gat, Alexandra Vardi-Kilshtain, Iris Grossman, et al.Journal of Chemical Theory and Computation|November 26, 2015
Hybrid Quantum and Classical Simulations of the Formate Dehydrogenase Catalyzed Hydride Transfer Reaction on an Accurate Semiempirical Potential Energy SurfaceAlexandra Vardi-Kilshtain, Dan Thomas Major, Amnon Kohen, et al.Pageof 2