RNDr. Stanislav Geidl, Ph.D.

2013

• 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

• 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

• 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

• SiteBinder: An improved approach for comparing multiple protein structural motifs

  SEHNAL David SVOBODOVÁ VAŘEKOVÁ Radka HUBER Heinrich J. GEIDL Stanislav IONESCU Crina-Maria WIMMEROVÁ Michaela KOČA Jaroslav

  Article in Periodical

  Journal of Chemical Information and Modeling, year: 2012, volume: 52, edition: 2, DOI

2011

• Comparison of protein structural motifs – challenges and algorithms. Improved approach and case studies

  SVOBODOVÁ VAŘEKOVÁ Radka SEHNAL David PRAVDA Lukáš OPPELT Jan IONESCU Crina-Maria GEIDL Stanislav KOČA Jaroslav

  Conference abstract

  Year: 2011, type: Conference abstract

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

  GEIDL Stanislav BERÁNEK Roman SVOBODOVÁ VAŘEKOVÁ Radka BOUCHAL Tomáš BRUMOVSKÝ Miroslav KUDERA Michal SKŘEHOTA Ondřej KOČA Jaroslav

  Conference abstract

  Year: 2011, type: Conference abstract

• Predicting pK(a) values of substituted phenols from atomic charges: Comparison of different quantum mechanical methods and charge distribution schemes

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

  Article in Periodical

  Journal of Chemical Information and Modeling, year: 2011, volume: 51, edition: 8