The Voelz Lab (http://voelzlab.org) is seeking a postdoc to start in the fall to work on Markov State Model approaches for ligand binding. The project involves developing and applying new multi-ensemble and adaptive sampling methods to construct predictive models of pathways, rates and affinities for ligand binding. Ligands range from small-molecule drugs to designed mini-proteins. The project may also involve exploration of MaxCal-based methods for the prediction of relative rates for a series of related compounds. Related collaborations are possible within the Institute for Computational Molecular Science at Temple University (https://icms.cst.temple.edu), as are potential interfaces with early-stage drug discovery projects in the laboratory of Dr. Christian Schafmeister (http://schafmeistergroup.com).
The candidate should have a strong background in molecular simulation and/or computational chemistry, scientific computing, and software development, including Python. Experience with free energy and/or MSM estimation is a big plus, as is experience in working as part of a team of collaborators.
To apply, please send a cover letter explaining your interest in the position and your relevant background, along with a CV which also contains contact information for at least three references to me at email@example.com. The position is expected to start in Fall 2019. Applications will be reviewed as received, sent preferably before Aug 1.