Andrius Merkys
Andrius Merkys
Researcher, Vilnius University Institute of Biotechnology
Verified email at ibt.lt - Homepage
Title
Cited by
Cited by
Year
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
N Mounet, M Gibertini, P Schwaller, D Campi, A Merkys, A Marrazzo, ...
Nature nanotechnology 13 (3), 246-252, 2018
7982018
Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration
S Gražulis, A Daškevič, A Merkys, D Chateigner, L Lutterotti, M Quiros, ...
Nucleic acids research 40 (D1), D420-D427, 2012
6472012
AceDRG: a stereochemical description generator for ligands
F Long, RA Nicholls, P Emsley, S Gražulis, A Merkys, A Vaitkus, ...
Acta Crystallographica Section D: Structural Biology 73 (2), 112-122, 2017
1272017
COD:: CIF:: Parser: an error-correcting CIF parser for the Perl language
A Merkys, A Vaitkus, J Butkus, M Okulič-Kazarinas, V Kairys, S Gražulis
Journal of applied crystallography 49 (1), 292-301, 2016
1082016
Computing stoichiometric molecular composition from crystal structures
S Gražulis, A Merkys, A Vaitkus, M Okulič-Kazarinas
Journal of applied crystallography 48 (1), 85-91, 2015
912015
Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database
M Quirós, S Gražulis, S Girdzijauskaitė, A Merkys, A Vaitkus
Journal of cheminformatics 10 (1), 1-17, 2018
452018
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
SP Huber, S Zoupanos, M Uhrin, L Talirz, L Kahle, R Häuselmann, ...
Scientific data 7 (1), 1-18, 2020
152020
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD
A Merkys, N Mounet, A Cepellotti, N Marzari, S Gražulis, G Pizzi
Journal of cheminformatics 9 (1), 1-11, 2017
132017
Raman Open Database: first interconnected Raman–X-ray diffraction open-access resource for material identification
Y El Mendili, A Vaitkus, A Merkys, S Gražulis, D Chateigner, F Mathevet, ...
Journal of applied crystallography 52 (3), 618-625, 2019
112019
Validation and extraction of molecular-geometry information from small-molecule databases
F Long, RA Nicholls, P Emsley, S Gražulis, A Merkys, A Vaitkus, ...
Acta Crystallographica Section D: Structural Biology 73 (2), 103-111, 2017
112017
IT. P14
S Gražulis, A Merkys, A Vaitkus, A Le Bail, D Chateigner, L Vilčiauskas, ...
Acta Cryst 70, C1736, 2014
62014
Validation of the crystallography open database using the crystallographic information framework
A Vaitkus, A Merkys, S Gražulis
Journal of applied crystallography 54 (2), 2021
42021
Crystallography Open Database (COD)
S Gražulis, A Merkys, A Vaitkus
Handbook of Materials Modeling: Methods: Theory and Modeling, 1863-1881, 2020
12020
MS22. P19
F Long, S Grazulis, A Merkys, G Murshudov
Acta Cryst 70, C338, 2014
12014
OPTIMADE: an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ...
arXiv preprint arXiv:2103.02068, 2021
2021
Novel two-dimensional materials from high-throughput computational exfoliation
N Mounet, M Gibertini, P Schwaller, D Campi, A Merkys, A Marrazzo, ...
Bulletin of the American Physical Society 65, 2020
2020
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
E Passaro, C Johnston, A Merkys, A Cepellotti, N Mounet, N Marzari, ...
2020
Crystallography Open Database: History, Development, and Perspectives
S Gražulis, A Merkys, A Vaitkus, D Chateigner, L Lutterotti, P Moeck, ...
Materials Informatics: Methods, Tools and Applications, 1-39, 2019
2019
Sonic drilling coupled with on-line-on-mine-analyses: field tests at the Villeveyrac bauxite deposit (Southern France)
B Orberger, M Le Guen, T Bui, A Kanzari, C Rodriguez, A Prudhomme, ...
15th SGA Biennial Meeting on Life with Ore Deposits on Earth, 2019
2019
Extraction and usage of crystallographic knowledge for refinement and validation of molecular models
A Merkys
Vilniaus universitetas, 2018
2018
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Articles 1–20