Our paper “A backbone-dependent rotamer library with high (φ, ψ) coverage using metadynamics simulations,” is published in Protein Sci.
You may also like
Our paper “Training neural network models using molecular dynamics simulation results to efficiently predict cyclic hexapeptide structural ensembles,” is published in J. Chem. […]
The YSL lab presented at the Tufts Open House!
Dr. Arghya Ghosh joins the group. Welcome, Arghya!
Our paper “Computational prediction of cyclic peptide structural ensembles and application to the design of Keap1 binders,” with the Kritzer Lab at […]