HybTrans: A Molecular Generation and Optimization Model Integrating Protein Pocket Sequence and Structural Information

Deep learning models for drug discovery offer broader chemical space exploration and generate more novel molecules compared to traditional methods. Deep learning models currently used in drug design can be divided into two main categories: those based on ligands and those based on protein pockets. H...

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Bibliographic Details
Main Authors: Chen Yinghao, Liu Hongde, Sun Xiao
Format: Article
Language:English
Published: EDP Sciences 2025-01-01
Series:BIO Web of Conferences
Online Access:https://www.bio-conferences.org/articles/bioconf/pdf/2025/25/bioconf_icbb2025_03012.pdf
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