Saulius Grazulis

Publication Activity (10 Years)

Years Active: 2012-2023
Publications (10 Years): 7

Top Topics

Intrinsic Parameters

Top Venues

J. Cheminformatics

Database J. Biol. Databases Curation

Publications

Antanas Vaitkus, Andrius Merkys, Thomas Sander, Miguel Quirós, Paul A. Thiessen, Evan E. Bolton, Saulius Grazulis
A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database. J. Cheminformatics 15 (1) (2023)
Darius Linge, Marius Gedgaudas, Andrius Merkys, Vytautas Petrauskas, Antanas Vaitkus, Algirdas Grybauskas, Vaida Paketuryte, Asta Zubriene, Audrius Zaksauskas, Aurelija Mickeviciute, Joana Smirnoviene, Lina Baranauskiene, Edita Capkauskaite, Virginija Dudutiene, Ernestas Urniezius, Aleksandras Konovalovas, Egidijus Kazlauskas, Kirill Shubin, Helgi B. Schiöth, Wen-Yih Chen, John E. Ladbury, Saulius Grazulis, Daumantas Matulis
PLBD: protein-ligand binding database of thermodynamic and kinetic intrinsic parameters. Database J. Biol. Databases Curation 2023 (2023)
Andrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, Aleksandras Konovalovas, Miguel Quirós, Saulius Grazulis
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions. J. Cheminformatics 15 (1) (2023)
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, Cedric Duee, Dominique Harang, Thomas Wallmach, Yassine El Mendili, Daniel Chateigner, Mike Buxton, Monique Le Guen
Building a Hyperspectral Library and its Incorporation into Sparse Unmixing for Mineral Identification. IGARSS (2018)
Miguel Quirós, Saulius Grazulis, Saule Girdzijauskaite, Andrius Merkys, Antanas Vaitkus
Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database. J. Cheminformatics 10 (1) (2018)
Andrius Merkys, Nicolas Mounet, Andrea Cepellotti, Nicola Marzari, Saulius Grazulis, Giovanni Pizzi
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD. J. Cheminformatics 9 (1) (2017)
Ian J. Bruno, Saulius Grazulis, John R. Helliwell, Soorya N. Kabekkodu, Brian McMahon, John D. Westbrook
Crystallography and Databases. Data Sci. J. 16 (2017)
Saulius Grazulis, Adriana Daskevic, Andrius Merkys, Daniel Chateigner, Luca Lutterotti, Miguel Quirós, Nadezhda R. Serebryanaya, Peter Moeck, Robert T. Downs, Armel Le Bail
Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration. Nucleic Acids Res. 40 (Database-Issue) (2012)