Researcher interests: Understanding fundamental questions in medicinal chemistry using different computational methods. Simulating enzyme catalysis and protein action by means of solving reaction mechanisms, revealing the structure-function correlations and identifying the important interactions between the enzymes and their substrates in order to find solutions for enzymatic failures caused by genetic modifications.
FACULTY / SCHOOL: School of Medicine - IMRIC
Contact Business Development: Mel Larrosa

Selected Publications

alina botvinik, donald truhlar, itay karach, Avital Shurki, wei
assessing the performance of ab initio classical valence bond methods for hydrogen transfer reactions (2017)| Computational and Theoretical Chemistry| Read more
empirical valence bond simulations of biological systems (2017)| | Read more
ana juknat, christeene haj, ewa kozela, lumir hanus, Raphael Mechoulam, mukesh chourasia, nathali kaushansky, Avital Shurki, zvi vogel
hu 446 and hu 465 derivatives of the non psychoactive cannabinoid cannabidiol decrease the activation of encephalitogenic t cells (2016)| Chemical Biology & Drug Design| Read more
aviva breuer, bitya raphael, daniele bolognini, itai bab, malka attarnamdar, maria grazia cascio, Raphael Mechoulam, mukesh chourasia, naama mussai, natalya kogan, pietro marini, reem smoum, roger pertwee, saja baraghithy, Avital Shurki
cb2 cannabinoid receptor agonist enantiomers hu 433 and hu 308 an inverse relationship between binding affinity and biological potency (2015)| Proceedings of the National Academy of Sciences of the United States of America| Read more
avital sharirivry, rajapandian varatharaj, Avital Shurki
valence bond and enzyme catalysis a time to break down and a time to build up (2015)| Chemistry: A European Journal| Read more
avital sharirivry, rajapandian varatharaj, Avital Shurki
challenges within the linear response approximation when studying enzyme catalysis and effects of mutations (2015)| Journal of Chemical Theory and Computation| Read more
alexandre barrozo, etienne derat, shina caroline lynn kamerlin, Avital Shurki
how valence bond theory can help you understand your bio chemical reaction (2015)| Chemical Society Reviews| Read more
avital sharirivry, Avital Shurki
valence bond based hybrid quantum mechanics molecular mechanics approaches and proper inclusion of the effect of the surroundings (2014)| Israel Journal of Chemistry| Read more
Ovadia Lev, novotortsev, petr prikhodchenko, Rami Pedahzur, Avital Shurki, tatiana tripońĺskaya, yitzhak wolanov
aqueous stability of alumina and silica perhydrate hydrogels experiments and computations (2014)| Dalton Transactions| Read more
mukesh chourasia, Avital Shurki, Tamar Ansbacher
copper chaperones with dicoordinated cu i unique protection mechanism (2013)| Proteins| Read more

Contact for more information:

Mel Larrosa
VP Business Development Healthcare
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