|CCL 20.12.05 Postdoc: Free energy calculations of enzymatic systems for the prediction of antibiotic resistance - Institut Polytechnique de Paris|
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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:  H. Ishikita and A. Warshel. "Predicting drug-resistant mutations of HIV protease". Angew. Chem. Int. Ed., 47, (2008) 697700.  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.NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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