Mgr. Aleš Křenek, Ph.D.

2023

• 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

• Automatic storing, sharing and archiving datasets with Onedata

  SVOBODA Tomáš KŘENEK Aleš HANDL Josef

  Appeared in Conference without Proceedings

  Year: 2022, type: Appeared in Conference without Proceedings

• Automating scientific dataset management and processing using Onedata

  SVOBODA Tomáš KŘENEK Aleš HANDL Josef

  Appeared in Conference without Proceedings

  Year: 2022, type: Appeared in Conference without Proceedings

• Collective Variable for Metadynamics Derived From AlphaFold Output

  SPIWOK Vojtěch KUREČKA Martin KŘENEK Aleš

  Article in Periodical

  FRONTIERS IN MOLECULAR BIOSCIENCES, year: 2022, volume: 2022, edition: 9, DOI

• Property Map Collective Variable as a Useful Tool for a Force Field Correction

  TRAPL Dalibor KRUPIČKA MArtin VIŠŇOVSKÝ Vladimír HOZZOVÁ Jana OĽHA Jaroslav KŘENEK Aleš SPIWOK Vojtěch

  Article in Periodical

  Journal of Chemical Information and Modeling, year: 2022, volume: 62, edition: 3, DOI

• The EurOPDX Data Portal: an open platform for patient-derived cancer xenograft data sharing and visualization

  DUDOVÁ Zdenka CONTE Nathalie MASON Jeremy STUCHLÍK Dalibor PEŠA Radim HALMAGYI Csaba PEROVA Zinaida MOSAKU Abayomi THORNE Ross FOLLETTE Alex PIVARČ Ľuboslav ŠAŠINKA Radim USMAN Muhammad NEUHAUSER Steven BEGLEY Dale A KRUPKE Debra M FRASSA Massimiliano FIORI Alessandro CORSI Riccardo VEZZADINI Luca ISELLA Claudio BERTOTTI Andrea BULT Carol PARKINSON Helen MEDICO Enzo MEEHAN Terrence KŘENEK Aleš

  Article in Periodical

  BMC Genomics, year: 2022, volume: 23, edition: 1, DOI

2021

• Complex simulation workflows in containerized high-performance environment

  VIŠŇOVSKÝ Vladimír SPIŠAKOVÁ Viktória HOZZOVÁ Jana OĽHA Jaroslav TRAPL Dalibor SPIWOK Vojtěch HEJTMÁNEK Lukáš KŘENEK Aleš

  Article in Proceedings

  Proc. ESM 2021, year: 2021

• Similarity Search for an Extreme Application: Experience and Implementation

  MÍČ Vladimír RAČEK Tomáš KŘENEK Aleš ZEZULA Pavel

  Article in Proceedings

  Similarity Search and Applications: 14th International Conference, SISAP 2021, Dortmund, Germany, September 29 - October 1, 2021, Proceedings, year: 2021

2020

• Exploring Protein Folding Space with Neural Network Guided Simulations

  KŘENEK Aleš HOZZOVÁ Jana OĽHA Jaroslav TRAPL Dalibor SPIWOK Vojtěch

  Article in Proceedings

  MODELLING AND SIMULATION 2020, year: 2020

2019

• West-Life: A Virtual Research Environment for structural biology

  MORRIS Chris ANDREETTO Paolo BANCI Lucia BONVIN Alexandre M J J CHOJNOWSKI Grzegorz CANO Laura del CARAZO José Maria CONESA Pablo DAENKE Susan DAMASKOS George GIACHETTI Andrea HALEY Natalie E C HEKKELMAN Maarten L HEUSER Philipp JOOSTEN Robbie P KOUŘIL Daniel KŘENEK Aleš KULHÁNEK Tomáš LAMZIN Victor S NADZIRIN Nurul PERRAKIS Anastassis ROSATO Antonio SANDERSON Fiona SEGURA Joan SCHAARSCHMIDT Joerg SOBOLEV Egor TRALDI Sergio TRELLET Mikael E VELANKAR Sameer VERLATO Marco WINN Martyn

  Article in Periodical

  Journal of Structural Biology: X, year: 2019, volume: 1, edition: January - March 2019, DOI