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
DEPARTMENT: School of Pharmacy- Institute for Drug Research
Selected Publications
assessing the performance of ab initio classical valence bond methods for hydrogen transfer reactions (2017)|
Computational and Theoretical Chemistry|
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empirical valence bond simulations of biological systems (2017)|
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hu 446 and hu 465 derivatives of the non psychoactive cannabinoid cannabidiol decrease the activation of encephalitogenic t cells (2016)|
Chemical Biology & Drug Design|
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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|
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valence bond and enzyme catalysis a time to break down and a time to build up (2015)|
Chemistry: A European Journal|
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challenges within the linear response approximation when studying enzyme catalysis and effects of mutations (2015)|
Journal of Chemical Theory and Computation|
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how valence bond theory can help you understand your bio chemical reaction (2015)|
Chemical Society Reviews|
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valence bond based hybrid quantum mechanics molecular mechanics approaches and proper inclusion of the effect of the surroundings (2014)|
Israel Journal of Chemistry|
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aqueous stability of alumina and silica perhydrate hydrogels experiments and computations (2014)|
Dalton Transactions|
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copper chaperones with dicoordinated cu i unique protection mechanism (2013)|
Proteins|
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