Postdoc position available on Markov State Model approaches for ligand binding

The Voelz Lab ( 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 (, as are potential interfaces with early-stage drug discovery projects in the laboratory of Dr. Christian Schafmeister (

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 The position is expected to start in Fall 2019. Applications will be reviewed as received, sent preferably before Aug 1.

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