AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like moleculesCrina-Maria Ionescu, Jaroslav Koča, David Sehnal et al.|Journal of Cheminformatics|2015Cited by 67
Predicting p<i>K</i><sub>a</sub> Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution SchemesRadka Svobodová Vařeková, Jaroslav Koča, Stanislav Geidl et al.|Journal of Chemical Information and Modeling|2011Cited by 55
High-quality and universal empirical atomic charges for chemoinformatics applicationsStanislav Geidl, Jaroslav Koča, Tomáš Bouchal et al.|Journal of Cheminformatics|2015Cited by 52
Rapid Calculation of Accurate Atomic Charges for Proteins via the Electronegativity Equalization MethodCrina-Maria Ionescu, Jaroslav Koča, Stanislav Geidl et al.|Journal of Chemical Information and Modeling|2013Cited by 29
ValidatorDB: database of up-to-date validation results for ligands and non-standard residues from the Protein Data BankDavid Sehnal, Jaroslav Koča, Radka Svobodová Vařeková et al.|Nucleic Acids Research|2014Cited by 23