Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration. - Saulius Grazulis; Adriana Daskevic; Andrius Merkys; Daniel Chateigner; Luca Lutterotti; Miguel Quirós; Nadezhda R. Serebryanaya; Peter Moeck; Robert T. Downs; Armel Le Bail (Nucleic Acids Res., 2012)

Crystallography and Databases. - Ian J. Bruno; Saulius Grazulis; John R. Helliwell; Soorya N. Kabekkodu; Brian McMahon; John D. Westbrook (Data Sci. J., 2017)

A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD. - Andrius Merkys; Nicolas Mounet; Andrea Cepellotti; Nicola Marzari; Saulius Grazulis; Giovanni Pizzi (J. Cheminformatics, 2017)

Building a Hyperspectral Library and its Incorporation into Sparse Unmixing for Mineral Identification. - Thanh Bui; Beate Orberger; Simon B. Blancher; Ali Mohammad-Djafari; Henry Pilliere; Anne Salaün; Xavier Bourrat; Nicolas Maubec; Thomas Lefévre; Celine Rodriguez; Antanas Vaitkus; Saulius Grazulis; et al. (IGARSS, 2018)

Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database. - Miguel Quirós; Saulius Grazulis; Saule Girdzijauskaite; Andrius Merkys; Antanas Vaitkus (J. Cheminformatics, 2018)

PLBD: protein-ligand binding database of thermodynamic and kinetic intrinsic parameters. - Darius Linge; Marius Gedgaudas; Andrius Merkys; Vytautas Petrauskas; Antanas Vaitkus; Algirdas Grybauskas; Vaida Paketuryte; Asta Zubriene; Audrius Zaksauskas; Aurelija Mickeviciute; Joana Smirnoviene; Lina Baranauskiene; et al. (Database J. Biol. Databases Curation, 2023)

Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions. - Andrius Merkys; Antanas Vaitkus; Algirdas Grybauskas; Aleksandras Konovalovas; Miguel Quirós; Saulius Grazulis (J. Cheminformatics, 2023)

A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database. - Antanas Vaitkus; Andrius Merkys; Thomas Sander; Miguel Quirós; Paul A. Thiessen; Evan E. Bolton; Saulius Grazulis (J. Cheminformatics, 2023)