QM quality atomic charges for proteins

by Geidl, Stanislav, Ionescu, Crina-Maria, Vařeková, Radka Svobodová, Koča, Jaroslav
Published 2014

Searching for tunnels of proteins – comparison of approaches and available software tools

by Jaiswal, Deepti, Vařeková, Radka Svobodová, Ionescu, Crina-Maria, Sehnal, David, Koča, Jaroslav
Published 2012

Charge Profile Analysis Reveals That Activation of Pro-apoptotic Regulators Bax and Bak Relies on Charge Transfer Mediated Allosteric Regulation

by Ionescu, Crina-Maria, Svobodová Vařeková, Radka, Prehn, Jochen H. M., Huber, Heinrich J., Koča, Jaroslav
Published 2012

Empirical charges for chemoinformatics applications

by Bouchal, Tomáš, Vařeková, Radka Svobodová, Raček, Tomáš, Ionescu, Crina-Maria, Geidl, Stanislav, Křenek, Aleš, Koča, Jaroslav
Published 2014

Consistency of sugar structures and their annotation in the PDB

by Jaiswal, Deepti, Sehnal, David, Vařeková, Radka Svobodová, Ionescu, Crina-Maria, Koča, Jaroslav
Published 2014

PatternQuery: web application for fast detection of biomacromolecular structural patterns in the entire Protein Data Bank

by Sehnal, David, Pravda, Lukáš, Svobodová Vařeková, Radka, Ionescu, Crina-Maria, Koča, Jaroslav
Published 2015

SiteBinder – an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs

by Sehnal, David, Vařeková, Radka Svobodová, Huber, Heinrich J, Geidl, Stanislav, Ionescu, Crina-Maria, Wimmerová, Michaela, Koča, Jaroslav
Published 2012

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

by Skřehota, Ondřej, Vařeková, Radka Svobodová, Geidl, Stanislav, Kudera, Michal, Sehnal, David, Ionescu, Crina-Maria, Žídek, Jan, Koča, Jaroslav
Published 2012

MOLE 2.0: advanced approach for analysis of biomacromolecular channels

by Sehnal, David, Svobodová Vařeková, Radka, Berka, Karel, Pravda, Lukáš, Navrátilová, Veronika, Banáš, Pavel, Ionescu, Crina-Maria, Otyepka, Michal, Koča, Jaroslav
Published 2013

Predicting pKa values from EEM atomic charges

by Vařeková, Radka Svobodová, Geidl, Stanislav, Ionescu, Crina-Maria, Skřehota, Ondřej, Bouchal, Tomáš, Sehnal, David, Abagyan, Ruben, Koča, Jaroslav
Published 2013

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

by Vařeková, Radka Svobodová, Jaiswal, Deepti, Sehnal, David, Ionescu, Crina-Maria, Geidl, Stanislav, Pravda, Lukáš, Horský, Vladimír, Wimmerová, Michaela, Koča, Jaroslav
Published 2014

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

by Sehnal, David, Svobodová Vařeková, Radka, Pravda, Lukáš, Ionescu, Crina-Maria, Geidl, Stanislav, Horský, Vladimír, Jaiswal, Deepti, Wimmerová, Michaela, Koča, Jaroslav
Published 2015

MOLEonline 2.0: interactive web-based analysis of biomacromolecular channels

by Berka, Karel, Hanák, Ondřej, Sehnal, David, Banáš, Pavel, Navrátilová, Veronika, Jaiswal, Deepti, Ionescu, Crina-Maria, Svobodová Vařeková, Radka, Koča, Jaroslav, Otyepka, Michal
Published 2012

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

by Ionescu, Crina-Maria, Sehnal, David, Falginella, Francesco L., Pant, Purbaj, Pravda, Lukáš, Bouchal, Tomáš, Svobodová Vařeková, Radka, Geidl, Stanislav, Koča, Jaroslav
Published 2015