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Briefings in Bioinformatics

Benchmarking AI-powered docking methods from the perspective of virtual screening

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Nature Machine Intelligence

CovalentInDB 2.0: an updated comprehensive database for structure-based and ligand-based covalent inhibitor design and screening

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Nucleic Acids Research

HawkDock version 2: an updated web server to predict and analyze the structures of protein–protein complexes

Xujun Zhang, Linlong Jiang, Gaoqi Weng, +12

Nucleic Acids Research

Sigmoid Accelerated Molecular Dynamics: An Efficient Enhanced Sampling Method for Biosystems

Yihao Zhao, Jintu Zhang, Haotian Zhang, +5

The Journal of Physical Chemistry Letters