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 completed his 4+1 program and graduated with a M.S. in Materials Science and Engineering. 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!
Marc Descoteaux wins the ACS undergraduate award in physical chemistry! Congratulations, Marc!