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Bioinformatics (Oxford, England)
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July 13, 2023
Building protein structure-specific rotamer libraries
Algirdas Grybauskas, Saulius Gražulis
Journal of Applied Crystallography
|
May 6, 2021
Validation of the Crystallography Open Database using the Crystallographic Information Framework
Antanas Vaitkus, Andrius Merkys, Saulius Gražulis
Journal of Applied Crystallography
|
June 20, 2015
Computing stoichiometric molecular composition from crystal structures
Saulius 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 Database
Miguel Quirós, Saulius Gražulis, Saulė Girdzijauskaitė, et al.
Journal of Cheminformatics
|
June 11, 2026
Determination of bonding radii from small-molecule crystal structures
Eglė Šidlauskaitė, Andrius Merkys, Antanas Vaitkus, et al.
Peerj
|
March 6, 2018
Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding
Alexey Smirnov, Asta Zubrienė, Elena Manakova, et al.
Biochimica Et Biophysica Acta. General Subjects
|
May 9, 2021
Crystal structure of restriction endonuclease Kpn2I of CCGG-family
Elena Manakova, Migle Mikutenaite, Dmitrij Golovenko, et al.
Journal of Cheminformatics
|
November 16, 2017
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD
Andrius Merkys, Nicolas Mounet, Andrea Cepellotti, et al.
Journal of Cheminformatics
|
February 23, 2023
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions
Andrius 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 language
Andrius Merkys, Antanas Vaitkus, Justas Butkus, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 50) with videos related to
Sort By:
Page
of 5
Bioinformatics (Oxford, England)
|
July 13, 2023
Building protein structure-specific rotamer libraries
Algirdas Grybauskas, Saulius Gražulis
Journal of Applied Crystallography
|
May 6, 2021
Validation of the Crystallography Open Database using the Crystallographic Information Framework
Antanas Vaitkus, Andrius Merkys, Saulius Gražulis
Journal of Applied Crystallography
|
June 20, 2015
Computing stoichiometric molecular composition from crystal structures
Saulius 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 Database
Miguel Quirós, Saulius Gražulis, Saulė Girdzijauskaitė, et al.
Journal of Cheminformatics
|
June 11, 2026
Determination of bonding radii from small-molecule crystal structures
Eglė Šidlauskaitė, Andrius Merkys, Antanas Vaitkus, et al.
Peerj
|
March 6, 2018
Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding
Alexey Smirnov, Asta Zubrienė, Elena Manakova, et al.
Biochimica Et Biophysica Acta. General Subjects
|
May 9, 2021
Crystal structure of restriction endonuclease Kpn2I of CCGG-family
Elena Manakova, Migle Mikutenaite, Dmitrij Golovenko, et al.
Journal of Cheminformatics
|
November 16, 2017
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD
Andrius Merkys, Nicolas Mounet, Andrea Cepellotti, et al.
Journal of Cheminformatics
|
February 23, 2023
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions
Andrius 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 language
Andrius Merkys, Antanas Vaitkus, Justas Butkus, et al.
Page
of 5