| SVOBODOVÁ VAŘEKOVÁ, Radka, Deepti JAISWAL, David SEHNAL, Crina-Maria IONESCU, Stanislav GEIDL, Lukáš PRAVDA, Vladimír HORSKÝ, Michaela WIMMEROVÁ and Jaroslav KOČA. MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes. Nucleic Acids Research. Oxford, UK: Oxford University Press, 2014, vol. 42, W1, p. "W227"-"W233", 7 pp. ISSN 0305-1048. Available from: https://dx.doi.org/10.1093/nar/gku426. |
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@article{1184600,
author = {Svobodová Vařeková, Radka and Jaiswal, Deepti and Sehnal, David and Ionescu, CrinaandMaria and Geidl, Stanislav and Pravda, Lukáš and Horský, Vladimír and Wimmerová, Michaela and Koča, Jaroslav},
article_location = {Oxford, UK},
article_number = {W1},
doi = {http://dx.doi.org/10.1093/nar/gku426},
keywords = {PROTEIN DATA-BANK; CRYSTAL-STRUCTURES; CRYSTALLOGRAPHY; INFORMATION; REFINEMENT; BIOLOGY; ARCHIVE; SERVER},
language = {eng},
issn = {0305-1048},
journal = {Nucleic Acids Research},
title = {MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes},
url = {http://nar.oxfordjournals.org/content/early/2014/05/21/nar.gku426.full.pdf+html},
volume = {42},
year = {2014}
}
TY - JOUR
ID - 1184600
AU - Svobodová Vařeková, Radka - Jaiswal, Deepti - Sehnal, David - Ionescu, Crina-Maria - Geidl, Stanislav - Pravda, Lukáš - Horský, Vladimír - Wimmerová, Michaela - Koča, Jaroslav
PY - 2014
TI - MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes
JF - Nucleic Acids Research
VL - 42
IS - W1
SP - "W227"-"W233"
EP - "W227"-"W233"
PB - Oxford University Press
SN - 03051048
KW - PROTEIN DATA-BANK
KW - CRYSTAL-STRUCTURES
KW - CRYSTALLOGRAPHY
KW - INFORMATION
KW - REFINEMENT
KW - BIOLOGY
KW - ARCHIVE
KW - SERVER
UR - http://nar.oxfordjournals.org/content/early/2014/05/21/nar.gku426.full.pdf+html
L2 - http://nar.oxfordjournals.org/content/early/2014/05/21/nar.gku426.full.pdf+html
N2 - Structure validation has become a major issue in the structural biology community, and an essential step is checking the ligand structure. This paper introduces MotiveValidator, a web-based application for the validation of ligands and residues in PDB or PDBx/mmCIF format files provided by the user. Specifically, MotiveValidator is able to evaluate in a straightforward manner whether the ligand or residue being studied has a correct annotation (3-letter code), i.e. if it has the same topology and stereochemistry as the model ligand or residue with this annotation. If not, MotiveValidator explicitly describes the differences. MotiveValidator offers a user-friendly, interactive and platform-independent environment for validating structures obtained by any type of experiment. The results of the validation are presented in both tabular and graphical form, facilitating their interpretation. MotiveValidator can process thousands of ligands or residues in a single validation run that takes no more than a few minutes. MotiveValidator can be used for testing single structures, or the analysis of large sets of ligands or fragments prepared for binding site analysis, docking or virtual screening. MotiveValidator is freely available via the Internet at http://ncbr.muni.cz/MotiveValidator.
ER -
SVOBODOVÁ VAŘEKOVÁ, Radka, Deepti JAISWAL, David SEHNAL, Crina-Maria IONESCU, Stanislav GEIDL, Lukáš PRAVDA, Vladimír HORSKÝ, Michaela WIMMEROVÁ and Jaroslav KOČA. MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes. \textit{Nucleic Acids Research}. Oxford, UK: Oxford University Press, 2014, vol.~42, W1, p.~''W227''-''W233'', 7 pp. ISSN~0305-1048. Available from: https://dx.doi.org/10.1093/nar/gku426.
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