RNDr. Tomáš Raček, Ph.D.

2023

• Zpracování dat na CEITECu

  RAČEK Tomáš

  Year: 2023, type:

• αCharges: partial atomic charges for AlphaFold structures in high quality

  SCHINDLER Ondřej BERKA Karel CANTARA Alessio KŘENEK Aleš TICHÝ Dominik RAČEK Tomáš SVOBODOVÁ Radka

  Article in Periodical

  Nucleic Acids Research, year: 2023, volume: 51, edition: W1, DOI

2022

• Alphacharges - a web service for calculating QM-like partial atomic charges for AlphaFold proteins

  SCHINDLER Ondřej RAČEK Tomáš SVOBODOVÁ Radka

  Appeared in Conference without Proceedings

  Year: 2022, type: Appeared in Conference without Proceedings

• Atomic Charge Calculator II – a web service for calculating partial atomic charges

  RAČEK Tomáš SCHINDLER Ondřej PTÁČNÍKOVÁ Lenka SVOBODOVÁ Radka

  Conference abstract

  Year: 2022, type: Conference abstract

• Prediction of QM-like partial atomic charges for alphafold

  SCHINDLER Ondřej RAČEK Tomáš SVOBODOVÁ Radka

  Appeared in Conference without Proceedings

  Year: 2022, type: Appeared in Conference without Proceedings

• QM-like partial atomic charges for AlphaFold available online

  SCHINDLER Ondřej RAČEK Tomáš JELÍNEK Kamil SVOBODOVÁ Radka

  Conference abstract

  Year: 2022, type: Conference abstract

2021

• COMPUTER-AIDED MODEL DESIGN OF EMPIRICAL METHODS FOR CALCULATING PARTIAL ATOMIC CHARGES

  RAČEK Tomáš SCHINDLER Ondřej

  Article in Proceedings

  MODELLING AND SIMULATION 2021: 35TH ANNUAL EUROPEAN SIMULATION AND MODELLING CONFERENCE 2021 (ESM 2021), year: 2021

• Optimized SQE atomic charges for peptides accessible via a web application

  SCHINDLER Ondřej RAČEK Tomáš MARŠAVELSKI Aleksandra KOČA Jaroslav BERKA Karel SVOBODOVÁ Radka

  Article in Periodical

  Journal of Cheminformatics, year: 2021, volume: 13, edition: 1, DOI

• Partial atomic charges for proteins

  SCHINDLER Ondřej RAČEK Tomáš MARŠAVELSKI Aleksandra SVOBODOVÁ Radka KOČA Jaroslav

  Appeared in Conference without Proceedings

  Year: 2021, type: Appeared in Conference without Proceedings

• QM-like partial atomic charges for proteins available online

  SCHINDLER Ondřej RAČEK Tomáš SVOBODOVÁ Radka BERKA Karel

  Conference abstract

  Year: 2021, type: Conference abstract