gersteinlab.bsky.social @gersteinlab.bsky.social · 05/10/2026New paper in Protein Science by the Gerstein lab @markgerstein.bsky.social . Meet DreamFold: a World Model that generates protein folding pathways and reveals druggable intermediate states: onlinelibrary.wiley.com/doi/10.1002/... 011
gersteinlab.bsky.social @gersteinlab.bsky.social · 01/06/2026New @natcomms.nature.com paper by @katebowie.bsky.social @markgerstein.bsky.social, where we study how disinfection shapes microbes in hospital sink drain biofilms. Biofilms regrew in 4 days, enriched for carbapenem-resistant bacteria and multidrug efflux pump genes: www.nature.com/articles/s41... 143
gersteinlab.bsky.social @gersteinlab.bsky.social · 01/06/2026In our @natmachintell.nature.com paper, we introduce a framework to analyse interpretability in deep learning by drawing on a formal notion of model semantics from the philosophy of science. We illustrate our framework with examples from biomedicine. Read here: rdcu.be/e9uYh 211
gersteinlab.bsky.social @gersteinlab.bsky.social · 03/12/2025Our @neuripsconf.bsky.social work led by YunyangLI “E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products” was selected as a spotlight (with score ranked ~17 / 21k submissions). Poster: Thur Dec 4, Exhibit Hall CDE #5512 Online: openreview.net/forum?id=ls5... 111
gersteinlab.bsky.social @gersteinlab.bsky.social · 15/07/2025🧠 At our recent Gerstein Lab roster meeting, we took a detour into… personality science! Turns out we’re INT Central 🧪 📌 70% Introverts 📌 83% Intuitives 📌 57% Thinkers Analysts (INTP, INTJ) dominate, far more than the U.S. baseline. #MBTI #INTP #INTJ 111
gersteinlab.bsky.social @gersteinlab.bsky.social · 05/05/20254/4 ⚡ WANet + WALoss ⇒ 18 % faster SCF convergence & 1 000 × energy-error reduction vs. SOTA. One model, many properties—HOMO/LUMO, dipoles, electron densities—all from a single predicted Hamiltonian. 120
gersteinlab.bsky.social @gersteinlab.bsky.social · 05/05/20252/4 🧩 We introduce Wavefunction-Alignment Loss + WANet, slashing SCF iterations while keeping ab-initio precision for molecules 3× larger than training data. 100
gersteinlab.bsky.social @gersteinlab.bsky.social · 05/05/20251/4 🚀 New #ICLR2025 SPOTLIGHT ALERT Gerstein Lab presents “Enhancing the Scalability & Applicability of Kohn-Sham Hamiltonians”—led by YunyangLI & Z Xia & L Huang & J Zhang & @markgerstein.bsky.social . Joint work with @msftresearch.bsky.social . 121
gersteinlab.bsky.social @gersteinlab.bsky.social · 20/04/2025New @biophysj.bsky.social paper by Alan Ianeselli, Joe Howard and @markgerstein.bsky.social . A Molecular Dynamics algorithm to rapidly compute protein folding pathways and identify folding intermediates for targeted drug discovery! doi.org/10.1016/j.bp... 041
gersteinlab.bsky.social @gersteinlab.bsky.social · 18/04/2025Our new paper describes the iDASH-winning method for efficient blockchain storage of biomedical data. We cut gas costs by 60% and sped up retrieval 500x with low-level Solidity optimization. By Eric Ni, Elizabeth Knight, @markgerstein.bsky.social doi.org/10.1016/j.jb... 031
gersteinlab.bsky.social @gersteinlab.bsky.social · 16/04/2025New paper by Gaoyuan Wang, Jonathan Warrell, Prashant Emani and @markgerstein.bsky.social ! Check out our new model QVAE, a fully quantum variational autoencoder with latent regularization: journals.aps.org/pra/abstract... 021
gersteinlab.bsky.social @gersteinlab.bsky.social · 16/12/2024New @plosone.org paper by Xiao Zhou, Sanchita Kedia, Ran Meng, and @markgerstein.bsky.social. Our deep learning framework analyzes fMRI scans for early Alzheimer's Disease detection, achieving 92.8% accuracy with a focus on model interpretability: t.co/Ro5WzyJUyZ 020
