CCL Home Page
Up Directory CCL 21.01.18 Computational Postdoctoral Fellow, University of Notre Dame, IN
From: jobs at (do not send your application there!!!)
To: jobs at
Date: Mon Jan 18 18:52:25 2021
Subject: 21.01.18 Computational Postdoctoral Fellow, University of Notre Dame, IN

Computational Postdoctoral Fellow, University of Notre Dame, IN

A position in molecular modeling and drug design is open immediately. The successful candidate will have a Ph.D. in chemistry, biochemistry, medicinal chemistry, physical chemistry or a related field. The postdoctoral position involves carrying out various projects involving designing/identifying of new biologically active molecules through docking and scoring, protein modeling, MD/free-energy simulations to study protein dynamics, and QM or QM/MM calculations to elucidate biological reaction pathways. Experience in using Amber, Gaussian, Schrdinger packages, Dock, GOLD, Modeller or similar programs, is highly desired. Programming/scripting knowledge with Python/C/Fortran/ Perl/Linux shell is also desirable. In addition, experience with using and maintaining UNIX/LINUX workstations is required.

The laboratory is equipped with state-of-the-art workstations with 3D visualization and projection capabilities, a 228-core cluster housed at Notre Dame CRC exclusively dedicated for the laboratory members, data storage, and also has direct access to Notre Dame's >20,000-core main computing facility. The laboratory also has exclusive access to dedicated HPC clusters with NVIDIA GPUs for accelerated computing. In addition, latest NVIDIA GPU clusters with a total of 76 GPUs are available. Additional computing power is available through XSEDES (formerly known as TeraGrid) clusters. All computers are equipped with established programs and software packages that are necessary to carry out the computational tasks listed above.

The successful candidate will have the opportunity for interactions with synthetic chemists, biochemists, and molecular biologists within the Mobashery group, or with collaborating groups (usually crystallographers). Ability to perform independently in the lab is essential.

The research carried out in the laboratory employs a multidisciplinary approach to solving problems of biomedical significance. The research interests encompass investigations of mechanisms of resistance to antibacterials, design of novel antibiotics, bacterial cell wall and its recycling, drugs for SARS-CoV2, studies of several diseases of the extracellular matrix and the means to prevent them. The group members have backgrounds in organic chemistry, enzymology, molecular modeling, computational sciences, and molecular biology.

Interested candidates should e-mail their CV to:

Professor Shahriar Mobashery
Navari Family Chair in Life Sciences
Department of Chemistry and Biochemistry
251 Nieuwland Science Center
University of Notre Dame
Notre Dame, IN 46556 USA
email: mobashery .

All @ signs were changed to . to fight spam. Before you send e-mail, you need to change . to @
For example: change joe . to
Please let your prospective employer know that you learned about the job from the Computational Chemistry List Job Listing at
Modified: Mon Jan 18 23:52:25 2021 GMT
Page accessed 1440 times since Mon Jan 18 23:54:15 2021 GMT