Interformer: an interaction-aware model for protein-ligand docking and affinity prediction

Abstract In recent years, the application of deep learning models to protein-ligand docking and affinity prediction, both vital for structure-based drug design, has garnered increasing interest. However, many of these models overlook the intricate modeling of interactions between ligand and protein...

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Bibliographic Details
Main Authors: Houtim Lai, Longyue Wang, Ruiyuan Qian, Junhong Huang, Peng Zhou, Geyan Ye, Fandi Wu, Fang Wu, Xiangxiang Zeng, Wei Liu
Format: Article
Language:English
Published: Nature Portfolio 2024-11-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-024-54440-6
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