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To: jobs at ccl.net
Date: Sat Dec 5 08:30:12 2020
Subject: 20.12.05 Postdoc: Free energy calculations of enzymatic systems for the prediction of antibiotic resistance - Institut Polytechnique de Paris
A new postdoctoral position is available in February/March 2021 at 
the Institut Polytechnique de Paris, ( https://www.ip-paris.fr/en ). 
The project deals with developing new cutting-edge computational 
strategies based on molecular models and accurate free energy 
calculations to tackle antibiotic resistance (ABR).
 
The postdoc will: 
  - Perform advanced free energy calculations to study the effect of 
    enzymatic point mutations on both catalytic proficiency and drug 
    binding.
  - Develop a new computational framework that will resort on the 
    above-mentioned free energy calculations to drive the exploration 
    of mutation space for bacterial enzymes.
 
The whole project will be performed in close collaboration with 
leading scientists, including both experimentalists and theoreticians, 
in the field of microbiology and ABR, enzymology, protein structure 
and protein computational design.
 
The ideal candidate should have a Ph.D. degree in computational 
chemistry/biology/biophysics. The following skills are expected:
  - Strong knowledge in molecular dynamics, quantum chemistry and/or 
    QM/MM methods,
  - Experience with free energy calculations (related to enzyme 
    catalysis and/or drug binding),
  - Ability to work in a broad/multidisciplinary team,
  - Knowledge in bioinformatics tools and Python/Matlab programming would 
    be a plus.
 
Relevant publications:
 
[1] H. Ishikita and A. Warshel. "Predicting drug-resistant mutations of HIV protease". Angew. Chem. Int. Ed., 47, (2008) 697700.
[2] V. Opuu, G. Nigro, T. Gaillard, E. Schmi, Y. Mechulam and T. Simonson. "Adaptative landscape flattening allows the design of 
both enzyme substrate binding and catalytic power". PLoS. Comput. Biol., 16, (2020) e1007 600.
To submit an application, please send an email to Julian Garrec
( julian.garrec[at]ensta-paris.fr ) including a detailed CV and list of 
publications. Please add [postdocABR2021] in the email object to help 
filtering.
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