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Up Directory CCL 18.03.02 Postdoc and PhD student openings in Computer-Aided Drug Design center
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Date: Fri Mar 2 10:45:07 2018
Subject: 18.03.02 Postdoc and PhD student openings in Computer-Aided Drug Design center
We are seeking self-motivated individuals interested in combining chemistry, biology, physics and computers to 
make an impact in biomedical discovery and materials innovation.

Example projects:
- Dynamics and inhibition of proteases and kinases
- Ion and proton transport in pH-gradient driven transmembrane proteins 
- Development/implementation of constant pH molecular dynamics for pKa predictions and free energy calculations
- Dynamics and self-assembly of pH-responsive materials

- PhD student candidate shall have completed at least 2 physical chemistry courses
- Skills in scripting and/or programming
- Postdoc candidate shall have experience in molecular dynamics simulations and/or free energy calculations

- PhD student annual stipend level about $24k
- Postdoc fellow annual salary range $44k-55k (commensurate with experience)

- She lab, CADD center, Department of Pharmaceutical Sciences, 
   University of Maryland School of Pharmacy, Baltimore, MD, USA
- Within walking distance to Baltimore inner harbor
- Within driving distance: 1 hr to Washington DC; 2 hrs to Philadelphia; 3 hrs to NYC

Relevant publications:
- Harris et al, Proton-coupled conformational allostery modulates the inhibitor selectivity for -secretase. 
   J Phys Chem Lett 8: 4832-4837, 2017.
- Huang et al, Mechanism of pH-dependent activation of the sodium-proton antiporter NhaA. 
   Nat Commun 7: 12940, 2016.
- Huang et al, Continuous constant pH molecular dynamics with particle-mesh Ewald and titratabe water. 
   J Chem Theory Comput 12: 5411-5421, 2016.
- Morrow et al, Stimuli-responsive self-assembly of polysaccharide through a rugged energy landscape.
   J Am Chem Soc 137: 13024-13030, 2015.
Please send cover letter and resume to 
Prof. Jana Shen
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