News

Congratulations to:

 

August 2019:

Congratulations to:

 Efrat for her paper on monoterpene synthesis inside nano capsules that was accepted for publication in J. Am. Chem. Soc.

Arup for his paper on Mo-doping in NCM811 that was accepted for publication in ACS Appl. Energy Mater.

Susanta, Mor, Keren, Neta, Anil, and Tamar for their paper describing EnzyDock, which was accepted for publication in J. Chem. Theory Comput.

 

January 2019:

Congratulations to Tamar for her manuscript on the crystal structure and modeling of the enzyme LepI that was accepted for publication in Org. Biomol. Chem.

 

December 2018:

Congratulations to Sandeep for his manuscript on endogenous DNP from paramagnetic Mn(II) dopants in oxides enables 17O MAS-NMR at natural abundance that was accepted for publication in J. Am. Chem. Soc.

 

November 2018:

Congratulations to Efrat for her manuscript on terpenes and terpenoids as biofuels that was accepted for publication in Sustainable Energy & Fuels.

Congratulations to Efrat who successfully defended her M.Sc. thesis.

Congratulations to Jennifer who successfully defended her M.Sc. thesis.

Congratulations to Anil and Yaron for their manuscript on Evolutionary Effects on Bound Substrate pKa in Dihydrofolate Reductase that was accepted for publication in J. Am. Chem. Soc.

 

October 2018:

Congratulations to Arup and Mudit for their manuscript on the SCAN functional for layered oxides that was accepted for publication in npj Computational Materials.

 

August 2018:

Congratulations to Anil for his manuscript on the diterpene synthase CotB2 that was accepted for publication in Nat. Commun.

Dan's News & Views piece "Complex Terpenes in One Pot" was published in Nature Catalysis.

Congratulations to Arup for his paper on Mo-doped NCM523 that was accepted for publication in ACS Appl. Mater. & Interfaces.

 

July 2018:

Congratulations to Monica for her manuscript on the catalytic mechanism in corroles that was accepted for publication in J. Phys. Chem. C.

Congratulations to Anil and Yaron for their manuscript on the Goldilocks of Enzyme Flexibility that was accepted for publication in J. Phys. Chem. B.

 

June 2018:

Congratulations to Vijay and Mudit for their manuscript on P2Y6-receptor agonists for treatment of glaucoma that was accepted for publication in Purinergic Signal.

 

May 2018:

Congratulations to Tamar and Yehoshua for their manuscript on taxadiene synthase that was accepted for publication in Biochemistry.

 

January 2018:

Congratulations to Susanta for his manuscript on QM region size dependence in QM/MM calculations that was accepted for publication in J. Chem. Theory Comput.

Congratulations to Mudit for his manuscript on Ni-rich cathode materials that was accepted for publication in Energy Environ. Sci.

 

 

The Major Group 

Computational Chemistry • Chemical Biology • Materials Science