Our paper “Computational prediction of cyclic peptide structural ensembles and application to the design of Keap1 binders,” is published in J. Chem. Inf. Model.
Yu-Shan Lin
127 posts
Our paper “Genetically-encoded discovery of perfluoroaryl-macrocycles that bind to albumin and exhibit extended circulation in-vivo,” is published in Nat. Commun.
Our paper “Modeling changes in molecular dynamics time series as Wasserstein barycentric interpolations,” is published at the SampTA 2023 Conference.
Francini Fonseca Lopez defends her PhD thesis. Congratulations, Francini!
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. Theory Comput.
Jovan Damjanovic defends his PhD thesis. Congratulations, Jovan!
The YSL lab presented at the Tufts Open House!
YSL receives the Tufts University Rising Innovator Award.
YSL receives the Annual Women Leadership Award from the Rotary Club of Cambridge.
Our paper “A backbone-dependent rotamer library with high (φ, ψ) coverage using metadynamics simulations,” is published in Protein Sci.
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.
Marc Descoteaux wins the ACS undergraduate award in physical chemistry! Congratulations, Marc!
Marc Descoteaux wins the Class of 1898 Prize! Congratulations, Marc!
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.
Dr. Arghya Ghosh joins the group. Welcome, Arghya!
Minh Ho and Nomindari Bayaraa join the group. Welcome, Nomi and Minh!
Our lab receives the Seed Grant from the Data Intensive Studies Center (DISC) at Tufts! This is a collaborative project with Prof. James Murphy in the Department of Mathematics at Tufts.
Jovan Damjanovic wins the ACS COMP Chemical Computing Group Excellence Award for Graduate Students! Congratulations, Jovan!
Our paper “Structure prediction of cyclic peptides by molecular dynamics + machine learning” is published in Chem. Sci.