Our paper “Binary combinatorial scanning reveals potent poly-alanine-substituted inhibitors of protein—protein interactions” with the Pentelute Lab in the Department of Chemistry at MIT is published in Comm. Chem.
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Our paper “A backbone-dependent rotamer library with high (φ, ψ) coverage using metadynamics simulations,” is published in Protein Sci.
Our paper “Training neural network models using molecular dynamics simulation results to efficiently predict cyclic hexapeptide structural ensembles,” is published in J. Chem. […]
YSL receives the Tufts University Rising Innovator Award.
Our paper “Computational prediction of cyclic peptide structural ensembles and application to the design of Keap1 binders,” with the Kritzer Lab at […]