doc. RNDr. Radka Svobodová, Ph.D.

2014

• NEEMP – Tool for parameterization of empirical charge calculation method EEM

  RAČEK Tomáš SVOBODOVÁ VAŘEKOVÁ Radka KŘENEK Aleš BOUCHAL Tomáš KOČA Jaroslav

  Conference abstract

  Year: 2014, type: Conference abstract

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

  SVOBODOVÁ VAŘEKOVÁ Radka JAISWAL Deepti SEHNAL David IONESCU Crina-Maria GEIDL Stanislav PRAVDA Lukáš HORSKÝ Vladimír WIMMEROVÁ Michaela KOČA Jaroslav

  Year: 2014

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

  GEIDL Stanislav SEHNAL David IONESCU Crina-Maria SVOBODOVÁ VAŘEKOVÁ Radka PANT Purbaj KOČA Jaroslav

  Conference abstract

  Year: 2014, type: Conference abstract

2013

• Advanced implementation of atomic charge calculation with electronegativity equalization

  RAČEK Tomáš SVOBODOVÁ VAŘEKOVÁ Radka KŘENEK Aleš

  Conference abstract

  Year: 2013, type: Conference abstract

• Empirical charges for chemoinformatics applications

  BOUCHAL Tomáš SVOBODOVÁ VAŘEKOVÁ Radka RAČEK Tomáš IONESCU Crina-Maria GEIDL Stanislav KŘENEK Aleš KOČA Jaroslav

  Conference abstract

  Year: 2013, type: Conference abstract

• MOLE 2.0: advanced approach for analysis of biomacromolecular channels

  SEHNAL David SVOBODOVÁ VAŘEKOVÁ Radka BERKA Karel PRAVDA Lukáš NAVRÁTILOVÁ Veronika BANÁŠ Pavel IONESCU Crina-Maria OTYEPKA Michal KOČA Jaroslav

  Article in Periodical

  Journal of Cheminformatics, year: 2013, volume: 5, edition: 39, DOI

• MOLE 2.0: Improved Approach for Analysis of Biomacromolecular Channels and Pores

  PRAVDA Lukáš SVOBODOVÁ VAŘEKOVÁ Radka SEHNAL David BERKA Karel OTYEPKA Michal KOČA Jaroslav

  Appeared in Conference without Proceedings

  Year: 2013, type: Appeared in Conference without Proceedings

• Predicting pKa values from EEM atomic charges

  SVOBODOVÁ VAŘEKOVÁ Radka GEIDL Stanislav IONESCU Crina-Maria SKŘEHOTA Ondřej BOUCHAL Tomáš SEHNAL David ABAGYAN Ruben A. KOČA Jaroslav

  Article in Periodical

  Journal of Cheminformatics, year: 2013, volume: 5, edition: 18, DOI

• QM quality atomic charges for proteins

  GEIDL Stanislav IONESCU Crina-Maria SVOBODOVÁ VAŘEKOVÁ Radka KOČA Jaroslav

  Conference abstract

  Year: 2013, type: Conference abstract

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

  IONESCU Crina-Maria GEIDL Stanislav SVOBODOVÁ VAŘEKOVÁ Radka KOČA Jaroslav

  Article in Periodical

  Journal of Chemichal Information a Modeling, year: 2013, volume: 53, edition: 10, DOI