Molecular Modeling Lab
March 3, 2021

Post-doc opening

Post-doc opening

Post-doc Researcher in Computational Modeling of Bacterial Efflux Pumps involved in Multi-Drug Resistance.

A post-doc position on timely problems related to multi-drug bacterial resistance mediated by efflux systems is open in our group. The project is funded by the NIAID/NIH grant "Optimization of efflux avoidance and inhibition for antibiotic development" (PI Helen Zgurskaya, University of Oklahoma - USA).

The position is for one year, with a possible extension for a second year.


  • MD simulations with standard and enhanced-sampling techniques to investigate the interaction of antimicrobial compounds with bacterial efflux pumps.
  • Evaluation of thermodynamics and kinetics associated with molecular recognition and extrusion of compounds and inhibitors by efflux pumps.
  • Interactions with all research partners within a multidisciplinary project.


  • PhD in Physics, Chemistry, Bioinformatics, Computational biology, Pharmaceutical Chemistry, Biotechnology.
  • Strong publication record in the field of molecular simulation/molecular modelling.
  • Experience in common molecular modelling/simulation/docking packages.  
  • Fluent written and spoken English.      
  • Desirable: experience in QM methods, bioinformatics tools and hybrid QM/MM codes.

For further information please contact:

Prof. Paolo Ruggerone -

People involved:

Dr. Attilio Vittorio Vargiu -

Dr. Giuliano Malloci -

All documents and instructions needed to apply are available at:

Although not explicitly requested in the call, two reference letters are welcome.

Deadline: May 11, 2021

CONTACTS Giuliano Malloci Andrea Bosin Attilio Vittorio Vargiu Paolo Ruggerone