20 citations · 38 across the 5 of their papers we have counts for
5 papers
VibeProteinBench: An Evaluation Benchmark for Language-interfaced Vibe Protein Design
Hyunjin Seo, Hongjoon Ahn, Jimin Park +16
Protein design aims to compose amino-acid sequences that fold into stable three-dimensional structures while satisfying targeted functional properties. The field is increasingly sh…
Chemically Transferable Generative Backmapping of Coarse-Grained Proteins
Soojung Yang, Rafael Gómez-Bombarelli
Coarse-graining (CG) accelerates molecular simulations of protein dynamics by simulating sets of atoms as singular beads. Backmapping is the opposite operation of bringing lost ato…
Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation
Soojung Yang, Doyeong Hwang, Seul Lee +2
Recently, utilizing reinforcement learning (RL) to generate molecules with desired properties has been highlighted as a promising strategy for drug design. A molecular docking prog…
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…
A comprehensive study on the prediction reliability of graph neural networks for virtual screening
Soojung Yang, Kyung Hoon Lee, Seongok Ryu
Prediction models based on deep neural networks are increasingly gaining attention for fast and accurate virtual screening systems. For decision makings in virtual screening, resea…