Journal: Journal of Cheminformatics

Article Title: A beginner’s approach to deep learning applied to VS and MD techniques

doi: 10.1186/s13321-025-00985-7

Figure Lengend Snippet: Summary of DL models mentioned throughout the “ Deep learning and virtual screening ” section of this review used to aid in performing VS workflows

Article Snippet: DeepBindBC [ , ] , DFCNN that uses as input protein–ligand complex structures as generated by AutoDock Vina (thus considering spatial information) and that can estimate protein–ligand binding probabilities.

Techniques: Generated, Binding Assay, Drug discovery, In Silico, In Vitro, In Vivo, Plasmid Preparation, Diffusion-based Assay, Sequencing, Modification, Protein Binding, Sampling, Molecular Weight