18 citations · 21 across the 3 of their papers we have counts for
3 papers
cs.LG2026★ 3 cited
CrystalBoltz: End-to-End Protein Structure Determination via Experiment-Guided Diffusion for X-Ray Crystallography
Minseo Kim, Huanghao Mai, Jay Shenoy +3
Generative models trained on public databases of protein structures, most of which have been determined by X-ray crystallography, now provide powerful priors for structure predicti…
physics.bio-ph2022★ 18 cited
Exploring PROTAC cooperativity with coarse-grained alchemical methods
Huanghao Mai, Matthew H. Zimmer, Thomas F. Miller
Proteolysis targeting chimera (PROTAC) is a novel drug modality that facilitates the degradation of a target protein by inducing proximity with an E3 ligase. In this work, we prese…
cs.LG2018
PotentialNet for Molecular Property Prediction
Evan N. Feinberg, Debnil Sur, Zhenqin Wu +7
The arc of drug discovery entails a multiparameter optimization problem spanning vast length scales. They key parameters range from solubility (angstroms) to protein-ligand binding…