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,” with the Kritzer Lab at […]
YSL receives the Annual Women Leadership Award from the Rotary Club of Cambridge.
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. […]