Tomás Bouchal

According to our database, Tomás Bouchal authored at least 7 papers between 2011 and 2021.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2021

Bending of Canonical and G/T Mismatched DNAs.

Tomás Bouchal, Ivo Durník, Petr Kulhánek

J. Chem. Inf. Model., 2021

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, Purbaj Pant, Lukás Pravda, Tomás Bouchal, Radka Svobodová Vareková, Stanislav Geidl, Jaroslav Koca

J. Cheminformatics, 2015

High-quality and universal empirical atomic charges for chemoinformatics applications.

Stanislav Geidl, Tomás Bouchal, Tomás Racek, Radka Svobodová Vareková, Václav Hejret, Ales Krenek, Ruben Abagyan, Jaroslav Koca

J. Cheminformatics, 2015

2014

Empirical charges for chemoinformatics applications.

Tomás Bouchal, Radka Svobodová Vareková, Tomás Racek, Crina-Maria Ionescu, Stanislav Geidl, Ales Krenek, Jaroslav Koca

J. Cheminformatics, 2014

2013

Predicting pKa values from EEM atomic charges.

Radka Svobodová Vareková, Stanislav Geidl, Crina-Maria Ionescu, Ondrej Skrehota, Tomás Bouchal, David Sehnal, Ruben Abagyan, Jaroslav Koca

J. Cheminformatics, 2013

2012

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

Stanislav Geidl, Roman Beránek, Radka Svobodová Vareková, Tomás Bouchal, Miroslav Brumovský, Michal Kudera, Ondrej Skrehota, Jaroslav Koca

J. Cheminformatics, 2012

2011

Predicting p<i>K</i>_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, Ondrej Skrehota, Michal Kudera, David Sehnal, Tomás Bouchal, Ruben Abagyan, Heinrich J. Huber, Jaroslav Koca

J. Chem. Inf. Model., 2011