306 citations · 829 across the 29 of their papers we have counts for
6 papers · 1 filter
SFM-Protein: Integrative Co-evolutionary Pre-training for Advanced Protein Sequence Representation
Liang He, Peiran Jin, Yaosen Min +7
Proteins, essential to biological systems, perform functions intricately linked to their three-dimensional structures. Understanding the relationship between protein structures and…
Exploiting Pre-trained Models for Drug Target Affinity Prediction with Nearest Neighbors
Qizhi Pei, Lijun Wu, Zhenyu He +4
Drug-Target binding Affinity (DTA) prediction is essential for drug discovery. Despite the application of deep learning methods to DTA prediction, the achieved accuracy remain subo…
3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling
Qizhi Pei, Rui Yan, Kaiyuan Gao +2
The integration of molecular and natural language representations has emerged as a focal point in molecular science, with recent advancements in Language Models (LMs) demonstrating…
FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation
Kaiyuan Gao, Qizhi Pei, Gongbo Zhang +3
Molecular docking is a pivotal process in drug discovery. While traditional techniques rely on extensive sampling and simulation governed by physical principles, these methods are…
Leveraging Biomolecule and Natural Language through Multi-Modal Learning: A Survey
Qizhi Pei, Zhimeng Zhou, Kaiyuan Gao +6
The integration of biomolecular modeling with natural language (BL) has emerged as a promising interdisciplinary area at the intersection of artificial intelligence, chemistry and…
BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning
Qizhi Pei, Lijun Wu, Kaiyuan Gao +6
Recent research trends in computational biology have increasingly focused on integrating text and bio-entity modeling, especially in the context of molecules and proteins. However,…