5 citations · 6 across the 4 of their papers we have counts for
4 papers
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…
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…
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…
PIGNet: A physics-informed deep learning model toward generalized drug-target interaction predictions
Seokhyun Moon, Wonho Zhung, Soojung Yang +2
Recently, deep neural network (DNN)-based drug-target interaction (DTI) models were highlighted for their high accuracy with affordable computational costs. Yet, the models' insuff…