2 papers
q-bio.QM2026
SurfSpec: Enhancing Off-Target-Agnostic Specificity by Bounding Pocket-Ligand Geometric Mismatch
Minyeong Hwang, Yoorim Gang, Ziseok Lee +5
Lead optimization in structure-based drug design aims to improve target binding while avoiding unintended interactions with off-target pockets. However, existing affinity-driven me…
cs.AI2025
On the Collapse of Generative Paths: A Criterion and Correction for Diffusion Steering
Ziseok Lee, Minyeong Hwang, Wooyeol Lee +6
Inference-time steering adapts pretrained diffusion and flow models to new tasks without retraining, often utilizing ratio-of-densities constructions that reweight time-indexed mar…