Preeti Choudhary

PDBe-SIFTS improves residue-level sequence-structure mapping with faster search, better scoring, and accurate alignment, comparable to expert curation.

This study introduces ECIFP, a method to analyze ligand binding modes in the PDB, showing it can identify similar binding sites and detect binding-mode similarities across diverse ligands.

The paper introduces PDBe tools for analysing small molecules in the PDB, enhancing ligand data access, interaction analysis, and functional role identification.

The PDB NextGen Archive centralizes and streamlines access to integrated structural annotations and enriched data from wwPDB partners and external sources.

PDBe CCDUtils processes and analyzes small molecules from the PDB using RDKit, offering tools for property computation and database cross-references.

The paper integrates up-to-date residue-level annotations from multiple databases into PDBx/mmCIF files to improve data interoperability and standardization.