Andrius Merkys
Andrius Merkys
Researcher, Vilnius University Institute of Biotechnology
Dirección de correo verificada de ibt.lt - Página principal
TítuloCitado porAño
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, 2011
4382011
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, 2018
3232018
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
562017
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
482016
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
482015
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
102017
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), 56, 2017
82017
IT. P14
S Gražulis, A Merkys, A Vaitkus, A Le Bail, D Chateigner, L Vilčiauskas, ...
Acta Cryst 70, C1736, 2014
32014
Raman Open Database: first interconnected Raman-XRD open-access resource for material identification
Y El Mendili, V Antanas, A Merkys, S Grazulis, D Chateigner, F Mathevet, ...
Journal of Applied Crystallography Forthcoming articles, 2019
12019
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), 23, 2018
12018
MS22. P19
F Long, S Grazulis, A Merkys, G Murshudov
Foundations of Crystallography 70, C338, 2014
12014
Crystallography Open Database: History, Development, and Perspectives
S Gražulis, A Merkys, A Vaitkus, D Chateigner, L Lutterotti, P Moeck, ...
Materials Informatics, 1-39, 2019
2019
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), 2019
2019
Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database
M Quirós Olozábal, S Gražulis, S Girdzijauskaitė, A Merkys
Springer Open, 2018
2018
Extraction and usage of crystallographic knowledge for refinement and validation of molecular models
A Merkys
Vilnius University, 2018
2018
Kristalografinės informacijos išgavimas bei panaudojimas molekulių modelių tikslinimui ir tikrinimui
A Merkys
Vilnius University, 2018
2018
Crystallography Open Database (COD)
S Gražulis, A Merkys, A Vaitkus
Handbook of Materials Modeling: Methods: Theory and Modeling, 1-19, 2018
2018
The use of interconnected open data for material identification
A Vaitkus, A Merkys, S Grazulis
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 73, C1238-C1238, 2017
2017
MS107. P01
A Vaitkus, A Merkys, S Gražulis
Foundations of Crystallography 70, C1238, 2017
2017
Crystallography open database for teaching
S Grazulis, A Merkys, A Vaitkus
Foundations of Crystallography 70, C138, 2017
2017
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Artículos 1–20