Rational planning of biologically-active small molecules 

 The organic chemistry department uses computational methods such as ab-initio quantum-mechanica​l calculations, which are routinely employed for elucidation of reaction mechanisms, development of novel synthetic pathways, as well as for structure-activity relationship studies, and in order to obtain a well-defined prioritized list of molecules as synthetic goals.  

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Articles:​

Shlomi Elias,* Naama Karton-Lifshin, Lea Yehezkel, Nissan Ashkenazi,* Ishay Columbus,

and Yossi Zafrani*Synthesis, Characterization, and Reactivity of Thermally Stable

Anhydrous Quaternary Ammonium Fluorides. Org. Lett. 2017, 19, 3039-3042.