Stanislav Geidl

发表

Biomacromolecular Fragments and Patterns

Radka Svobodová Vařeková, Karel Berka, Jaroslav Koča, 2016 .

Structural Bioinformatics Databases of General Use

Radka Svobodová Vařeková, Karel Berka, Jaroslav Koča, 2016 .

Comparison of protein structural motifs – challenges and algorithms. Improved approach and case studies

Radka Svobodová Vařeková, Jaroslav Koča, Lukáš Pravda, 2011 .

NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges

Radka Svobodová Vareková, Jaroslav Koca, Ales Krenek, 2016, Journal of Cheminformatics.

QSPR modeling – algorithms, challenges and IT solutions

Radka Svobodová Vařeková, Jaroslav Koča, Stanislav Geidl, 2011 .

Empirical charges for chemoinformatics applications

Radka Svobodová Vareková, Jaroslav Koca, Ales Krenek, 2014, Journal of Cheminformatics.

QSPR designer – a program to design and evaluate QSPR models. Case study on pKa prediction

Radka Svobodová Vareková, Jaroslav Koca, Stanislav Geidl, 2011, J. Cheminformatics.

Detection and Extraction of Fragments

Radka Svobodová Vařeková, Karel Berka, Jaroslav Koča, 2016 .

SiteBinder: An Improved Approach for Comparing Multiple Protein Structural Motifs

Radka Svobodová Vareková, Jaroslav Koca, Stanislav Geidl, 2012, J. Chem. Inf. Model..

ValidatorDB: database of up-to-date validation results for ligands and non-standard residues from the Protein Data Bank

Radka Svobodová Vareková, Jaroslav Koca, Stanislav Geidl, 2014, Nucleic Acids Res..

How the methodology of 3D structure preparation influences the quality of QSPR models?

Radka Svobodová Vareková, Jaroslav Koca, Stanislav Geidl, 2012, Journal of Cheminformatics.

Web server for the rapid calculation of empirical atomic charges with QM accuracy

Radka Svobodová Vařeková, Jaroslav Koča, Stanislav Geidl, 2014 .

Predicting pKa values from EEM atomic charges

Radka Svobodová Vareková, Jaroslav Koca, Ruben Abagyan, 2013, Journal of Cheminformatics.

High-quality and universal empirical atomic charges for chemoinformatics applications

Radka Svobodová Vareková, Jaroslav Koca, Ruben Abagyan, 2015, Journal of Cheminformatics.

QSPR designer – employ your own descriptors in the automated QSAR modeling process

Radka Svobodová Vareková, Jaroslav Koca, Stanislav Geidl, 2012, Journal of Cheminformatics.

How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?

Radka Svobodová Vareková, Jaroslav Koca, Ruben Abagyan, 2015, J. Chem. Inf. Model..

MotiveValidator: software for validation of ligand and residuestructures in biomolecular complexes

Radka Svobodová Vařeková, Jaroslav Koča, Lukáš Pravda, 2014 .

Structural Bioinformatics Tools for Drug Design

Radka Svobodová Vařeková, Karel Berka, Jaroslav Koča, 2016, SpringerBriefs in Biochemistry and Molecular Biology.

SiteBinder – an improved software superimposing multipleprotein structural motifs and its applications

Radka Svobodová Vařeková, Jaroslav Koča, Stanislav Geidl, 2011 .

Predicting pKa Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes

Radka Svobodová Vareková, Jaroslav Koca, Ruben Abagyan, 2011, J. Chem. Inf. Model..

Rapid Calculation of Accurate Atomic Charges for Proteins via the Electronegativity Equalization Method

Radka Svobodová Vareková, Jaroslav Koca, Stanislav Geidl, 2013, J. Chem. Inf. Model..

Structural Bioinformatics Tools for Drug Design: Extraction ofBiologically Relevant Information from Structural Databases

Radka Svobodová Vařeková, Karel Berka, Jaroslav Koča, 2016 .

MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes

Radka Svobodová Vareková, Jaroslav Koca, Stanislav Geidl, 2014, Nucleic Acids Res..

QM quality atomic charges for proteins

Radka Svobodová Vareková, Jaroslav Koca, Stanislav Geidl, 2014, Journal of Cheminformatics.

AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules

Radka Svobodová Vareková, Jaroslav Koca, Stanislav Geidl, 2015, Journal of Cheminformatics.