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)