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 pKa and free energy calculations (covalent and noncovalent
inhibitor design)
Rapid pKa and free energy calculations for covalent and reversible 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
Requirements
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)