|CCL 19.09.09 Postdoc and student openings to advance drug and material design at University of Maryland|
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To: jobs at ccl.net
Date: Mon Sep 9 19:31:32 2019
Subject: 19.09.09 Postdoc and student openings to advance drug and material design at University of Maryland
Postdoc and PhD student openings for advancing computer-aided drug and material design 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) - Applications of machine learning to simulation analysis and property predictions - Quantum calculations for drug design 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 or quantum calculations (required for postdoc and desirable for PhD student candidate) Compensation: - Postdoc fellow: annual salary of $50k-65k commensurate with experience - PhD student: annual stipend of about $26k 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: 1) Harris RC and Shen J*, GPU-accelerated implementation of continuous constant pH molecular dynamics in Amber: pKa predictions with single pH simulations. Preprint available at ChemRxiv, 2019. 2) Liu R, Yue Z, Tsai CC, and Shen J*, Assessing lysine and cysteine reactivities for designing targeted covalent kinase inhibitors. J Am Chem Soc 141: 6553-6560, 2019. 3) Tsai et al, How electrostatic coupling enables conformational plasticity in a tyrosine kinase. J Am Chem Soc, accepted, 2019. 4) Tsai CC, Payne GF, and Shen J*, Exploring pH-responsive, switchable crosslinking mechanisms for programming reconfigurable hydrogels based on aminopolysaccharides. Chem Mater 30: 8597-8605, 2018. 5) Huang YD, Chen W, Dotson DL, Beckstein O, and Shen J*, Mechanism of pH-dependent activation of the sodium-proton antiporter NhaA. Nat Commun 7: 12940, 2016.
Please send a 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.eduNOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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