doc. RNDr. Radka Svobodová, Ph.D.

2013

• 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

2012

• BH3-ONLY PROTEINS - FROM STRUCTURE TO FUNCTION

  IONESCU Crina-Maria KLÍMOVÁ Zuzana SEHNAL David SVOBODOVÁ VAŘEKOVÁ Radka KOČA Jaroslav

  Appeared in Conference without Proceedings

  Year: 2012, type: Appeared in Conference without Proceedings

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

  IONESCU Crina-Maria SVOBODOVÁ VAŘEKOVÁ Radka PREHN Jochen HM HUBER Heinrich J KOČA Jaroslav

  Article in Periodical

  PLoS Computational Biology, year: 2012, volume: 8, edition: 6, DOI

• MOLEonline 2.0: Interactive Web-based Analysis of Biomacromolecular Channels

  BERKA Karel HANÁK Ondřej SEHNAL David BANÁŠ Pavel NAVRÁTILOVÁ Veronika JAISWAL Deepti IONESCU Crina-Maria SVOBODOVÁ VAŘEKOVÁ Radka KOČA Jaroslav OTYEPKA Michal

  Article in Periodical

  Nucleic Acids Research, year: 2012, volume: 40, edition: W1, DOI

• Predicting pKa values of substituted phenols by QSPR models which employ EEM atomic charges

  GEIDL Stanislav SVOBODOVÁ VAŘEKOVÁ Radka IONESCU Crina-Maria SKŘEHOTA Ondřej BOUCHAL Tomáš KUDERA Michal SEHNAL David RUBEN Abagyan KOČA Jaroslav

  Conference abstract

  Year: 2012, type: Conference abstract

• Predikce pKa pro nově navržené molekuly léků

  GEIDL Stanislav BERÁNEK Roman SVOBODOVÁ VAŘEKOVÁ Radka BOUCHAL Tomáš KOČA Jaroslav

  Appeared in Conference without Proceedings

  Year: 2012, type: Appeared in Conference without Proceedings

• Protein Politics: How Neutral is Neutral?

  IONESCU Crina-Maria SVOBODOVÁ VAŘEKOVÁ Radka KOČA Jaroslav

  Appeared in Conference without Proceedings

  Year: 2012, type: Appeared in Conference without Proceedings