Tomás Bouchal

Publication Activity (10 Years)

Years Active: 2011-2021
Publications (10 Years): 3

Top Topics

Computational Methods

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Tomás Bouchal, Ivo Durník, Petr Kulhánek
Bending of Canonical and G/T Mismatched DNAs. J. Chem. Inf. Model. 61 (12) (2021)
Stanislav Geidl, Tomás Bouchal, Tomás Racek, Radka Svobodová Vareková, Václav Hejret, Ales Krenek, Ruben Abagyan, Jaroslav Koca
High-quality and universal empirical atomic charges for chemoinformatics applications. J. Cheminformatics 7 (2015)
Crina-Maria Ionescu, David Sehnal, Francesco L. Falginella, Purbaj Pant, Lukás Pravda, Tomás Bouchal, Radka Svobodová Vareková, Stanislav Geidl, Jaroslav Koca
AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules. J. Cheminformatics 7 (2015)
Tomás Bouchal, Radka Svobodová Vareková, Tomás Racek, Crina-Maria Ionescu, Stanislav Geidl, Ales Krenek, Jaroslav Koca
Empirical charges for chemoinformatics applications. J. Cheminformatics 6 (S-1) (2014)
Radka Svobodová Vareková, Stanislav Geidl, Crina-Maria Ionescu, Ondrej Skrehota, Tomás Bouchal, David Sehnal, Ruben Abagyan, Jaroslav Koca
Predicting pKa values from EEM atomic charges. J. Cheminformatics 5 (2013)
Stanislav Geidl, Roman Beránek, Radka Svobodová Vareková, Tomás Bouchal, Miroslav Brumovský, Michal Kudera, Ondrej Skrehota, Jaroslav Koca
How the methodology of 3D structure preparation influences the quality of QSPR models? J. Cheminformatics 4 (S-1) (2012)
Radka Svobodová Vareková, Stanislav Geidl, Crina-Maria Ionescu, Ondrej Skrehota, Michal Kudera, David Sehnal, Tomás Bouchal, Ruben Abagyan, Heinrich J. Huber, Jaroslav Koca
Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes. J. Chem. Inf. Model. 51 (8) (2011)