Publications
Peer-Reviewed
1. PDBe: enhanced structural data exploration to facilitate discovery.
Nucleic Acids Res
Querino Lima Afonso M, Pidruchna I, Nair S, Midlik A, Lawal D et al.
2026 | DOI: 10.1093/nar/gkaf1120 | Cited by 1
2. PDBe tools for an in-depth analysis of small molecules in the Protein Data Bank.
Protein Sci
Choudhary P, Kunnakkattu IR, Nair S, Lawal DK, Pidruchna I et al.
2025 | DOI: 10.1002/pro.70084 | Cited by 7
3. PDBe CCDUtils: an RDKit-based toolkit for handling and analysing small molecules in the Protein Data Bank.
J Cheminform
Kunnakkattu IR, Choudhary P, Pravda L, Nadzirin N, Smart OS et al.
2023 | DOI: 10.1186/s13321-023-00786-w | Cited by 10
4. Literature-based drug-drug similarity for drug repurposing: impact of Medical Subject Headings term refinement and hierarchical clustering.
Future Med Chem
Das SS, Ranjan P, Kunnakkattu IR.
2022 | DOI: 10.4155/fmc-2022-0074 | Cited by 2
Preprints
1. PDBe tools for an in-depth analysis of small molecules in the Protein Data Bank
bioRxiv
Choudhary P, Kunnakkattu IR, Nair S, Lawal DK, Pidruchna I et al.
2. PDBe CCDUtils: an RDKit-based toolkit for handling and analysing small molecules in the Protein Data Bank
bioRxiv
Kunnakkattu IR, Choudhary P, Pravda L, Nadzirin N, Smart OS et al.