Mgr. Aleš Křenek, Ph.D.

2018

• Acceleration of Mean Square Distance Calculations with Floating Close Structure in Metadynamics Simulations

  PAZÚRIKOVÁ Jana OĽHA Jaroslav KŘENEK Aleš SPIWOK Vojtěch

  Research report

  Year: 2018

2017

• Identification of "BRAF-Positive" Cases Based on Whole-Slide Image Analysis

  POPOVICI Vlad KŘENEK Aleš BUDINSKÁ Eva

  Article in Periodical

  Biomed Research International, year: 2017, volume: Neuveden, edition: April, DOI

• Reducing the number of mean-square deviation calculations with floating close structure in metadynamics

  PAZÚRIKOVÁ Jana KŘENEK Aleš SPIWOK Vojtěch ŠIMKOVÁ Mária

  Article in Periodical

  Journal of Chemical Physics, year: 2017, volume: 146, edition: 11, DOI

2016

• Accelerated RMSD Calculation for Molecular Metadynamics

  FILIPOVIČ Jiří PAZÚRIKOVÁ Jana KŘENEK Aleš SPIWOK Vojtěch

  Article in Proceedings

  Proceedings of the 2016 European Simulation and Modelling Conference, year: 2016

• Direct SAXS Curve Fitting with an Ensable of Conformations

  KŘENEK Aleš RAČEK Tomáš PAZÚRIKOVÁ Jana

  Appeared in Conference without Proceedings

  Year: 2016, type: Appeared in Conference without Proceedings

• Guided Optimization Method for Fast and Accurate Atomic Charges Computation

  PAZÚRIKOVÁ Jana KŘENEK Aleš MATYSKA Luděk

  Article in Proceedings

  Proceedings of the 2016 European Simulation and Modelling Conference, year: 2016

• NEEMP – nástroj pro parametrizaci EEM

  RAČEK Tomáš SVOBODOVÁ VAŘEKOVÁ Radka KŘENEK Aleš PAZÚRIKOVÁ Jana GEIDL Stanislav KOČA Jaroslav

  Conference abstract

  Year: 2016, type: Conference abstract

• NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges

  RAČEK Tomáš PAZÚRIKOVÁ Jana SVOBODOVÁ VAŘEKOVÁ Radka GEIDL Stanislav KŘENEK Aleš FALGINELLA Francesco Luca HORSKÝ Vladimír HEJRET Václav KOČA Jaroslav

  Article in Periodical

  Journal of Cheminformatics, year: 2016, volume: 8, edition: October, DOI

• Parametrizace ekvalizace elektronegativity metodou diferenciální evoluce

  PAZÚRIKOVÁ Jana RAČEK Tomáš GEIDL Stanislav SVOBODOVÁ VAŘEKOVÁ Radka KŘENEK Aleš

  Conference abstract

  Year: 2016, type: Conference abstract

2015

• Accurate Fitting SAXS Curves with NMR Structure Ensembles

  KŘENEK Aleš KUBÍČEK Karel ŠTEFL Richard FILIPOVIČ Jiří

  Article in Proceedings

  Proceedings of International Symposium on Grids and Clouds 2015, year: 2015