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Andrius Merkys

Showing results (1-10 of 17) with videos related to

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Journal of Applied Crystallography|May 6, 2021
Validation of the Crystallography Open Database using the Crystallographic Information FrameworkAntanas Vaitkus, Andrius Merkys, Saulius Gražulis
Journal of Applied Crystallography|June 20, 2015
Computing stoichiometric molecular composition from crystal structuresSaulius Gražulis, Andrius Merkys, Antanas Vaitkus, et al.
Journal of Cheminformatics|May 20, 2018
Using SMILES strings for the description of chemical connectivity in the Crystallography Open DatabaseMiguel Quirós, Saulius Gražulis, Saulė Girdzijauskaitė, et al.
Journal of Cheminformatics|June 11, 2026
Determination of bonding radii from small-molecule crystal structuresEglė Šidlauskaitė, Andrius Merkys, Antanas Vaitkus, et al.
Journal of Cheminformatics|November 16, 2017
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCODAndrius Merkys, Nicolas Mounet, Andrea Cepellotti, et al.
Journal of Cheminformatics|February 23, 2023
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptionsAndrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, et al.
Journal of Applied Crystallography|March 4, 2016
<i>COD::CIF::Parser</i>: an error-correcting CIF parser for the Perl languageAndrius Merkys, Antanas Vaitkus, Justas Butkus, et al.
Acta Crystallographica. Section D, Structural Biology|February 9, 2017
Validation and extraction of molecular-geometry information from small-molecule databasesFei Long, Robert A Nicholls, Paul Emsley, et al.
Acta Crystallographica. Section D, Structural Biology|February 9, 2017
AceDRG: a stereochemical description generator for ligandsFei Long, Robert A Nicholls, Paul Emsley, et al.
Journal of Cheminformatics|December 20, 2023
A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open DatabaseAntanas Vaitkus, Andrius Merkys, Thomas Sander, et al.
Pageof 2

Showing results (1-10 of 17) with videos related to

Sort By:
Pageof 2
Journal of Applied Crystallography|May 6, 2021
Validation of the Crystallography Open Database using the Crystallographic Information FrameworkAntanas Vaitkus, Andrius Merkys, Saulius Gražulis
Journal of Applied Crystallography|June 20, 2015
Computing stoichiometric molecular composition from crystal structuresSaulius Gražulis, Andrius Merkys, Antanas Vaitkus, et al.
Journal of Cheminformatics|May 20, 2018
Using SMILES strings for the description of chemical connectivity in the Crystallography Open DatabaseMiguel Quirós, Saulius Gražulis, Saulė Girdzijauskaitė, et al.
Journal of Cheminformatics|June 11, 2026
Determination of bonding radii from small-molecule crystal structuresEglė Šidlauskaitė, Andrius Merkys, Antanas Vaitkus, et al.
Journal of Cheminformatics|November 16, 2017
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCODAndrius Merkys, Nicolas Mounet, Andrea Cepellotti, et al.
Journal of Cheminformatics|February 23, 2023
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptionsAndrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, et al.
Journal of Applied Crystallography|March 4, 2016
<i>COD::CIF::Parser</i>: an error-correcting CIF parser for the Perl languageAndrius Merkys, Antanas Vaitkus, Justas Butkus, et al.
Acta Crystallographica. Section D, Structural Biology|February 9, 2017
Validation and extraction of molecular-geometry information from small-molecule databasesFei Long, Robert A Nicholls, Paul Emsley, et al.
Acta Crystallographica. Section D, Structural Biology|February 9, 2017
AceDRG: a stereochemical description generator for ligandsFei Long, Robert A Nicholls, Paul Emsley, et al.
Journal of Cheminformatics|December 20, 2023
A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open DatabaseAntanas Vaitkus, Andrius Merkys, Thomas Sander, et al.
Pageof 2