AF3 prediction for protein-NA and protein-ligand complex

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Haowei Meng, Sihan Zhang, Chengqi Yi
DOI: 10.5281/zenodo.19555204
Cited by: 1

Abstract

This dataset contains 3D structural predictions and contact probabilities (CP) for various biomolecular complexes, generated using AlphaFold3 (v3.0.0). The collection comprehensively covers: Deaminase-RNA Binary Complexes (APOBEC3A, TadA8e) CRISPR-Cas Ternary Complexes (Cas9 and Cas12a off-target predictions and tiling mismatches) AI-Designed DNA-Binding Proteins Protein-Ligand Complexes (MaeB variants with NAD+/NADP+) Contact Probability (CP) Benchmarks (various protein variants and PDB sequence matches)

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
13 April 2026
Language
EN
Document type
Dataset