Our paper “A backbone-dependent rotamer library with high (φ, ψ) coverage using metadynamics simulations,” is published in Protein Sci.
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Marc Descoteaux wins the ACS undergraduate award in physical chemistry! Congratulations, Marc!
Dr. Arghya Ghosh joins the group. Welcome, Arghya!
Jovan Damjanovic defends his PhD thesis. Congratulations, Jovan!
Our paper “Training neural network models using molecular dynamics simulation results to efficiently predict cyclic hexapeptide structural ensembles,” is published in J. Chem. […]