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To: jobs at ccl.net
Date: Thu May 3 21:25:01 2018
Subject: 18.05.03 Open Positions in Computational Biophysics at the University of Chicago
Two full-time positions for postdoctoral researchers are available immediately in the group of 
Prof Benoit Roux in the Department of Biochemistry and Molecular Biology at the University of 
Chicago to pursue computational studies using molecular dynamics simulations techniques.

SCOPE:  The projects are focused on kinase inhibitor binding specificity [1-2] and protein-protein 
recognition [3-5]. See the references below or our web site for more details
(http://thallium.bsd.uchicago.edu/RouxLab).

REQUESTED SKILLS: The ideal candidates will be independent and highly motivated researchers with 
a strong PhD background in computational biophysics or chemistry. Familiarity with computational 
techniques, such as umbrella sampling and alchemical free energy perturbation, Markov State 
Models,  QM/MM is desirable.  Any candidate should have excellent programming skills.

DETAILS: Funding for the position is secured for at least 3-4 years, with opportunities for extension. 
The salary level follows the NIH scale. 

APPLICATION:  Submit cover letter, personal statement, CV and one letter of recommendation directly 
to Prof Benoit Roux by email (roux at uchicago.edu).



References:

1. Meng Y, Pond MP, Roux B. Tyrosine Kinase Activation and Conformational Flexibility: Lessons from 
Src-Family Tyrosine Kinases. Acc Chem Res. 2017 May 16;50(5):1193-1201. 
(https://pubs.acs.org/doi/10.1021/acs.accounts.7b00012)

2. Meng Y, Gao C, Clawson DK, Atwell S, Russell M, Vieth M, Roux B. Predicting the 
Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations 
and Markov State Models. J Chem Theory Comput. 2018 Apr 3. [Epub ahead of print] 
(https://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b01170)

3. Gumbart JC, Roux B, Chipot C. Efficient determination of protein-protein standard 
binding free energies from first principles. J. Chem. Theory Comput., 2013, 9 (8), 
pp 37893798 (https://pubs.acs.org/doi/abs/10.1021/ct400273t)

4. Suh D, Radak BK, Chipot C, Roux B. Enhanced configurational sampling with hybrid non-equilibrium 
molecular dynamics-Monte Carlo propagator. J Chem Phys. 148, 014101,  2018 
(https://aip.scitation.org/doi/full/10.1063/1.5004154)

5. Fu H, Cai W, Hnin J, Roux B, Chipot C. New Coarse Variables for the Accurate Determination of 
Standard Binding Free Energies. J. Chem. Theory Comput., 2017, 13 (11), pp 51735178 
(https://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00791)

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