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Biomolecular Simulations Group

Curtis Goolsby

Curtis Goolsby

Biography

Curtis is an avid reader and explorer. His interests are wide and varied but his work in computational chemistry has ranged from developing new force fields for water to simulating large protein systems. Currently he is finishing a PhD focusing on theoretical utilization of Markov Models while working as a DevOps engineer at a major tech company.

Research

Markov State Models for Protein Dynamics

We develop Markov state models techniques to analyze the underlying dynamics of large protein dynamics simulations utilizing various enhanced sampling techniques. In addition, we have developed Riemannian formalisms for coarse variable spaces in diffusive models. Both of these spaces hold great promise for utilization in the work of experimentalists. As such we work to provide these techniques and formalisms in code packages that others may use without difficulty.


 
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