Post-doctoral fellowships are available in the Group of Sason Shaik in Jerusalem in the following topic:


QM/MM and QM Studies and Modeling of Heme and Nonheme Enzymatic Reactivity and Structure


See for example the following papers:
(1) Shaik, S. Cohen, Y. Wang, H. Chen, D. Kumar, and W. Thiel
"P450 Enzymes: Their Structure, Reactivity and Selectivity, Modeled by QM/MM Calculations"
Chem. Rev. 110, 949-1017 (2010).
(2) S. Shaik, W.Z. Lai, H. Chen, Y. Wang
"The Valence Bond Way: Reactivity Patterns of Cytochrome P450 Enzymes and Synthetic Analogs"
Acc. Chem. Res. 43, 1154-1165 (2010).
(3) S. Shaik
"Iron Opens to High Reactivity"
Nature Chem. 2, 347-348 (2010).
(4) S. Shaik, H. Chen, D. Janardanan
"Exchange-Enhanced Reactivity: A General Concept in Bond Activation by Metal-Oxo Enzymes and Synthetic Reagents"
Nature Chem. 3, 19-27 (2011).
(5) H. Chen, W.Z. Lai, S. Shaik
A Review on: "Multireference and Multiconfiguration Ab Initio methods in Heme Related Systems: What Have We Learned So Far?".
J. Phys. Chem. B. 115, 1727-1742 (2011)

Research Site:
The Institute of Chemistry and the Lise Meitner Minerva Center for Computational Quantum Chemistry, The Hebrew University of Jerusalem, Jerusalem, Israel

Objectives:
The candidate will participate in a project involving molecular dynamics simulations, QM/MM and QM calculations of the highly active species of these enzymes. The applied techniques are described in the above papers (see e.g., Ref. 1, above). In addition the candidate will participate in modeling and understanding the reactivity patterns (see Ref. 2 and 4 above) Therefore, the candidate should have capabilities necessary to the computational methods and solid knowledge of quantum chemistry in order to do the modeling.

Candidate's profile:
The fellowship is designated for holders of Ph.D. in Chemistry (Theoretical Chemistry), Physics or a similar discipline, with curriculum adequate for the work described above.

The candidate will be chosen based on the following criteria:


Duration:
The fellowship is for 12 months, starting from September, 1st 2011 and can be extended by additional 12 months.

Fellowship:
The fellowship is paid according to the indices of the Hebrew University (5,600 IS/month + 150 USDA/month of housing support) and is tax free.

Required documents:



Evaluation:
a committee including the research Director, Prof. Sason Shaik, will evaluate the applications.

Deadline:
The applications should be submitted until August 7th, 2011. However, the deadline is extendable.

Address for application submission:
Professor Sason Shaik, Director The Lise Meitner-Minerva Center for Computational Quantum Chemistry, Institute of Chemistry The Hebrew University of Jerusalem, Givat Ram Campus, Jerusalem 91904, ISRAEL
E-mail: sason.shaik@gmail.com
FAX: +972-2-6584680
Phone: +972-2-6585909
http://yfaat.ch.huji.ac.il/sason.html


E-mail: sason.shaik@gmail.com, Phone (w): +(972)-2-6585909, Fax (w): +(972)-2-6584680, Office: Alberman bldg., Room 64