In silico discovery of novel small-molecule PD-L1 inhibitors through a multi-stage computational workflow integrating machine learning and molecular dynamics

Journal of Computer-Aided Molecular Design 2026

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Authors: Amir Garmabdari, Seyed Mohammad Ayyoubzadeh, Fateme dehghani ashkezari, Soraya Shahhosseini, Sayyed Abbas Tabatabai, Elham Rezaee

DOI: 10.1007/s10822-026-00835-0

Cited by: 1

References: 29

Fields of Study & Subjects

Computational Drug Discovery Methods vaccines and immunoinformatics approaches Protein Structure and Dynamics

References 29