News

132 posts

May 2024

Our paper “Assessing the performance of peptide force fields for modeling the solution structural ensembles of cyclic peptides” is published in J. Phys. Chem. B.

April 2024

Our paper “The immune-evasive Proline 283 substitution in influenza nucleoprotein increases aggregation propensity without altering the native structure,” with the Shoulders Lab at MIT is published in Sci. Adv.

November 2023

Our paper  “Computational prediction of cyclic peptide structural ensembles and application to the design of Keap1 binders,” with the Kritzer Lab at Tufts is published in J. Chem. Inf. Model. 

September 2023

Our paper  “Genetically-encoded discovery of perfluoroaryl-macrocycles that bind to albumin and exhibit extended circulation in-vivo,”  with the Derda Lab at the University of Alberta is published in Nat. Commun.

September 2023

Our paper  “Modeling changes in molecular dynamics time series as Wasserstein barycentric interpolations,” with the Murphy Lab at Tufts is published at the SampTA 2023 Conference.

May 2023

Our paper  “Training neural network models using molecular dynamics simulation results to efficiently predict cyclic hexapeptide structural ensembles,” is published in J. Chem. Theory Comput. 

September 2022

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.

February 2022

Our paper “The endoplasmic reticulum proteostasis network profoundly shapes the protein sequence space accessible to HIV envelope” with the Shoulders Lab in the Department of Chemistry at MIT is published in PLOS Biol.