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!
Our paper “Training neural network models using molecular dynamics simulation results to efficiently predict cyclic hexapeptide structural ensembles,” is published in J. Chem. […]
Dr. Arghya Ghosh joins the group. Welcome, Arghya!
Francini Fonseca Lopez defends her PhD thesis. Congratulations, Francini!