Group Members

Dr. Susanta Das

Position: Post-Doc

Email: 

 susanta.das@biu.ac.il

Google Scholar 

Research Gate

Research Interests: My research mainly focuses on enzyme catalysis of formation of terpenes. Currently I investigate the bio-synthesis of Selinadiene catalyzed by Selinadiene synthase applying hybrid QM/MM methods.

 

Dr. Ortal Marciano​

Position: Post-Doc

Email: ortal94@gmail.com

Research Interests: My research focuses on energy calculations of copper binding proteins (Atox, CuSB, CuSF)

 

Dr. Tamar Ansbacher​

Position: Senior Researcher

Email: 

tamar.ansbacher@mail.huji.ac.il

Research Interests: In our research, we investigate the detailed mechanism for taxadiene formation by taxadiene synthase. This contains a sequence of ring-closures and proton transfer steps, using computational hybrid QM/MM methods.

 

Yaron Pshetitsky​

Position: Ph.D. Student

Email: 

yaron.pshetitsky@live.biu.ac.il

Research Interests: ­­­My research mainly focuses on computational enzymology, particularly molecular modeling of enzymatic assisted hydride transfer reaction in DHFR. In addition, we develop software tools that helps conducting the simulations, and analyzing the data.

 

Masha Nihamkin​

Position: Ph.D. Student

Email: 

mash.1992@gmail.com

Research Interests: ­­­The ion abundance of molecular clusters of chiral amino acids can strongly depend on their chiral composition. For example, the Serine octamer and the 12-mer of Proline are strongly enhanced by using enantiopure precursors. My research focuses on the influence of chiral composition of clusters of amino acids with other chiral amino acids and molecules on the ion abundance and in particular on the magic numbers that represent particularly stable structures.

 

Keren Raz

Position: Ph.D. Student

Email: 

keren1.raz@gmail.com

Research Interests: ­­­My research mainly deals with enzyme catalysis of formation of terpenes. In order to do so, I am using QM/MM methods. Currently I am investigating the mechanism of the bacterial di-terpene CotB2.

Efrat Pahima​

Position: M.Sc.

Email: 

faywood00@gmail.com

Research Interests: ­­­Enzyme catalysis of formation of terpenes, applying hybrid QM/MM methods;

Thermodynamic properties calculations for Terpenes as biofuel material using DFT.

 

Shani Levi

Position: M.Sc.

Email: 

levishani94@gmail.com

Research Interests: My research deals with Terpenes cyclization catalyzed inside a supramolecular capsule. I mainly focus on understanding the mechanism of cyclization of farnesyl acetate inside the capsule by applying hybrid QM/MM methods.

 

Jennifer Shulamit Shpilman​

Position: M.Sc.

Email: 

jencolo@hotmail.com

Research Interests: ­­­Examine potential bio-inspired oxygen reduction catalysts for fuel cells, namely metallocorroles. We study and characterize metallocorroles with different structure to understand how it affects the catalytic activity. We investigated the metallocorroles by performing DFT calculations, to estimate their stability and electronic structure.

 

Former Members

Name and position in group

Dr. Vijay Singh, Post-doc
 

Dr. Mudit Dixit, Post-doc

 

Dr. Tali Engel, Ph.D.

 

 

Dr. Alex Vardi, Post-doc

 

Dr. Alina Osnis, Ph.D.

 

Dr. Amir Rubinstein, M.Sc.

 

Dr. Asaf Azuri, M.Sc.

 

Ben Dlugatch, M.Sc.

 

Dr. Dvir Doron, Ph.D.

 

 

Haim Sazan, M.Sc.

 

Hila Martziano, M.Sc.

 

Karin Povolozki, M.Sc.

 

 

Dr. Michal Weitman, Post-doc

 

Dr. Monica Kosa, Post-doc

 

 

Dr. Reuven Eitan, Post-doc

 

Yehoshua Freud, M.Sc.

 

Neta Nitoker, M.Sc.

Currently 

Post-doctoral Fellow, CEA-Liten, Grenoble, France

 

Post-doc at University of Pittsburgh

 

Senior researcher, Blavatnik Center for Drug Discovery, Tel-Aviv University

 

Researcher at Pepticom

 

Chem & Energy Tech. Manager LG electronics

 

Scientific advisor at Pearl Cohen Zedek Latzer Baratz

 

Senior researcher, Weizmann Institute of Science

 

IDF

 

Chemical Toxicologist at Teva Pharmaceutical Industries Ltd in the Chemical & Computational Toxicology team

 

Ph.D. student, Bar-Ilan University

 

Head of quality assurance, Shaniv Paper Industries Ltd.

 

Chromatography and Mass-Spectroscopy Application support and training at Eldan Electronic Instruments Co. Ltd.

 

Head of Mass Spectrometry Unit, Bar-Ilan University

 

Computational Chemistry Unit, Organic Chemistry

Department, Schulich Faculty of Chemistry, Technion

 

Software developer, Optimata

 

Computational chemist, Evogene

 

Molecular hematology lab worker, Sheba medical center

Dr. Anil Mhashal​

Position: Post-Doc

Email: anil.mhashal@biu.ac.il, anil2000.2008@gmail.com

Google Scholar

Research Gate

Research Interests: Molecular modeling and simulation of bio-molecular systems. Theoretical investigation of enzyme catalyzed reactions from hybrid quantum mechanics/molecular mechanics Hamiltonians.

 

Dr. Sandeep Kumar​

Position: Post-Doc

Email: 

sandeepk.phy@gmail.com

Research Gate 

Research Interests:  My research area of interest is in computational and theoretical condensed matter physics, specially, in the field of electronic and magnetic structure of order and disordered alloys. Recently, I am focusing on the computational  design of Li-ion batteries (LIBs) and Nuclear Magnetic Resonance (NMR) studies  using first-principles methods and  how the doping changes their electronic, magnetic and electrochemical properties. 

 

Dr. Sooraj K

Position: Post-Doc

Email: 

soorajk@biu.ac.il

 ORCID

 Google Scholar

Research Interests: Understanding the mechanism and kinetics of chemical reactions of diverse applications using computational studies. Currently, I am working on the development of cathode materials for lithium-ion batteries (LIBs) and mechanism of degradation of electrolyte on the cathode surfaces of LIBs.

Dr. Arup Chakraborty​

Position: Post-Doc

Email: 

arupchakraborty719@gmail.com

Research Gate 

Google Scholar

Research Interests: My area of research is computational condensed matter physics. At present, I am involved in searching for cathode materials for Li-ion batteries with high energy density and in the study of nano-clusters.

 

The Major Group 

Computational Chemistry • Chemical Biology • Materials Science