Search research articles
Contact Us
Filters
Showing results (1-10 of 11) with videos related to
Page
of 2
Sort By:
Journal of Chemical Information and Modeling
|
August 24, 2013
Rapid calculation of accurate atomic charges for proteins via the electronegativity equalization method
Crina-Maria Ionescu, Stanislav Geidl, Radka Svobodová Vařeková, et al.
Journal of Chemical Information and Modeling
|
February 3, 2012
SiteBinder: an improved approach for comparing multiple protein structural motifs
David Sehnal, Radka Svobodová Vařeková, Heinrich J Huber, et al.
Journal of Cheminformatics
|
December 4, 2015
High-quality and universal empirical atomic charges for chemoinformatics applications
Stanislav Geidl, Tomáš Bouchal, Tomáš Raček, et al.
Journal of Cheminformatics
|
April 12, 2013
Predicting p Ka values from EEM atomic charges
Radka Svobodová Vařeková, Stanislav Geidl, Crina-Maria Ionescu, et al.
Journal of Chemical Information and Modeling
|
May 27, 2015
How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?
Stanislav Geidl, Radka Svobodová Vařeková, Veronika Bendová, et al.
Journal of Cheminformatics
|
November 3, 2016
NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges
Tomáš Raček, Jana Pazúriková, Radka Svobodová Vařeková, et al.
Nucleic Acids Research
|
May 23, 2014
MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes
Radka Svobodová Vařeková, Deepti Jaiswal, David Sehnal, et al.
Nucleic Acids Research
|
November 14, 2014
ValidatorDB: database of up-to-date validation results for ligands and non-standard residues from the Protein Data Bank
David Sehnal, Radka Svobodová Vařeková, Lukáš Pravda, et al.
Journal of Cheminformatics
|
October 27, 2015
AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules
Crina-Maria Ionescu, David Sehnal, Francesco L Falginella, et al.
Journal of Chemical Information and Modeling
|
July 19, 2011
Predicting pK(a) values of substituted phenols from atomic charges: comparison of different quantum mechanical methods and charge distribution schemes
Radka Svobodová Vareková, Stanislav Geidl, Crina-Maria Ionescu, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
August 24, 2013
Rapid calculation of accurate atomic charges for proteins via the electronegativity equalization method
Crina-Maria Ionescu, Stanislav Geidl, Radka Svobodová Vařeková, et al.
Journal of Chemical Information and Modeling
|
February 3, 2012
SiteBinder: an improved approach for comparing multiple protein structural motifs
David Sehnal, Radka Svobodová Vařeková, Heinrich J Huber, et al.
Journal of Cheminformatics
|
December 4, 2015
High-quality and universal empirical atomic charges for chemoinformatics applications
Stanislav Geidl, Tomáš Bouchal, Tomáš Raček, et al.
Journal of Cheminformatics
|
April 12, 2013
Predicting p Ka values from EEM atomic charges
Radka Svobodová Vařeková, Stanislav Geidl, Crina-Maria Ionescu, et al.
Journal of Chemical Information and Modeling
|
May 27, 2015
How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?
Stanislav Geidl, Radka Svobodová Vařeková, Veronika Bendová, et al.
Journal of Cheminformatics
|
November 3, 2016
NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges
Tomáš Raček, Jana Pazúriková, Radka Svobodová Vařeková, et al.
Nucleic Acids Research
|
May 23, 2014
MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes
Radka Svobodová Vařeková, Deepti Jaiswal, David Sehnal, et al.
Nucleic Acids Research
|
November 14, 2014
ValidatorDB: database of up-to-date validation results for ligands and non-standard residues from the Protein Data Bank
David Sehnal, Radka Svobodová Vařeková, Lukáš Pravda, et al.
Journal of Cheminformatics
|
October 27, 2015
AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules
Crina-Maria Ionescu, David Sehnal, Francesco L Falginella, et al.
Journal of Chemical Information and Modeling
|
July 19, 2011
Predicting pK(a) values of substituted phenols from atomic charges: comparison of different quantum mechanical methods and charge distribution schemes
Radka Svobodová Vareková, Stanislav Geidl, Crina-Maria Ionescu, et al.
Page
of 2