3 papers
q-bio.BM2026
Atom-level Protein Representation Learning Improves Protein Structure Prediction
Taewon Kim, Hyosoon Jang, Hyunjin Seo +6
Recent advances in generative modeling show that pretrained representations can improve generation as conditioning features or alignment targets. Motivated by this, we study protei…
q-bio.BM2026
BInD: Bond and Interaction-generating Diffusion Model for Multi-objective Structure-based Drug Design
Joongwon Lee, Wonho Zhung, Jisu Seo +1
Recent remarkable advancements in geometric deep generative models, coupled with accumulated structural data, enable structure-based drug design (SBDD) using only target protein in…
q-bio.BM2025
DeepBioisostere: Discovering Bioisosteres with Deep Learning for a Fine Control of Multiple Molecular Properties
Hyeongwoo Kim, Seokhyun Moon, Wonho Zhung +3
Optimizing molecular properties while preserving biological activity is a central challenge in drug design. Bioisosteric replacement, which substitutes a molecular fragment with a…