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Date: Thu Oct 18 09:56:46 2018
Subject: 18.10.18 Positions in Computer-Aided Drug Design at University of Maryland
Postdoc and PhD student positions in Computer-Aided Drug Design at University of Maryland

Shen lab at University of Maryland is seeking self-motivated individuals interested in combining chemistry, biology, physics and computation to 
make an impact in biomedical discovery and materials innovation.

Example projects:
- Development/implementation of constant pH molecular dynamics for rapid pKa and free energy calculations (covalent and noncovalent inhibitor design)
- Simulations of pH-responsive materials (novel hydrogels for bioelectronics)
- Inhibitor design targeting proteases, kinases, and GPCRs (cancer and other diseases)
- Ion and substrate transport through channels and transporters (cardiovascular disease, pain, and drug resistance) 
- Machine learning assisted property predictions 

Requirement:
- Good physical chemistry knowledge
- Skills in scripting and/or programming (required for postdoc and desirable for PhD student candidate)
- Experience in molecular dynamics simulations (required for postdoc and desirable for PhD student candidate)

Compensation:
- Postdoc fellow: annual salary of $49k-60k commensurate with the experience level
- PhD student: annual stipend of about $25k plus healthcare and paid tuition

Location: 
- Within walking distance to Baltimore inner harbor
- Within driving/train distance: 1 hour to Washington DC; 2 hours to Philadelphia; 3 hours to New York City

Relevant publications:
Wu S, et al., Electrical writing onto a dynamically responsive polysaccharide medium: patterning structure and function into a reconfigurable medium. 
Adv Funct Mater, ASAP, 2018.
Harris et al, Proton-coupled conformational allostery modulates the inhibitor selectivity for beta-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.

Further information:
http://www.computchem.org
Please send cover letter and resume to 
Prof. Jana Shen
Department of Pharmaceutical Sciences
University of Maryland School of Pharmacy
Baltimore, MD, USA
jana.shen=-=rx.umaryland.edu
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Modified: Thu Oct 18 13:56:46 2018 GMT
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