Our paper “A backbone-dependent rotamer library with high (φ, ψ) coverage using metadynamics simulations,” is published in Protein Sci.
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Our paper “Computational prediction of cyclic peptide structural ensembles and application to the design of Keap1 binders,” is published in J. Chem. […]
Dr. Arghya Ghosh joins the group. Welcome, Arghya!
Marc Descoteaux wins the ACS undergraduate award in physical chemistry! Congratulations, Marc!
Jovan Damjanovic defends his PhD thesis. Congratulations, Jovan!