Open access
Jul 2026
A comprehensive dataset of 32 million pentapeptide structures for high-throughput virtual screening.
Small peptides are widely used as binders, modulators, and structural motifs, but their conformational flexibility complicates structure-based analysis and high-throughput screening. We present an open dataset of three-dimensional structures for the complete space of canonical amino-acid pentapeptides: 3,200,000 unique...
Josep-Ramon Codina, E. Dikici, Sapna K. Deo et al.
· Scientific Data · 0 citations