doc. RNDr. Radka Svobodová, Ph.D.

2011

• Docking study of matrix metalloproteinase inhibitors

  RYŠKA Jan MISHRA Sushil Kumar SVOBODOVÁ VAŘEKOVÁ Radka KOČA Jaroslav

  Conference abstract

  Year: 2011, type: Conference abstract

• Fast methods of atomic charge calculation: the Electronegativity Equalization Method for proteins.

  IONESCU Crina-Maria SVOBODOVÁ VAŘEKOVÁ Radka SEHNAL David SKŘEHOTA Ondřej 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

• Predicting pKa values of substituted phenols from atomic charges.

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

  Conference abstract

  Year: 2011, type: Conference abstract

• QSPR Designer – Employ your own descriptors in the automated QSAR modeling process

  SKŘEHOTA Ondřej SVOBODOVÁ VAŘEKOVÁ Radka GEIDL Stanislav IONESCU Crina-Maria JAN Žídek KOČA Jaroslav

  Conference abstract

  Year: 2011, type: Conference abstract

• QSPR modeling – algorithms, challenges and IT solutions

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

  Conference abstract

  Year: 2011, type: Conference abstract

• Searching for tunnels of proteins - comparison of approaches and available software tools

  JAISWAL Deepti SVOBODOVÁ VAŘEKOVÁ Radka IONESCU Crina-Maria SEHNAL David KOČA Jaroslav

  Conference abstract

  Year: 2011, type: Conference abstract

• SiteBinder – an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs

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

  Conference abstract

  Year: 2011, type: Conference abstract

• SiteBinder – an improved software superimposing multiple protein structural motifs and its applications

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

  Conference abstract

  Year: 2011, type: Conference abstract