Mgr. Aleš Křenek, Ph.D.
Research and development staff II, Core Facilities
correspondence Address:
Šumavská 525/33, 602 00 Brno
office: G308
Šumavská 416/15
602 00 Brno
phone: | +420 549 49 4212 |
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e‑mail: |
social and academic networks: |
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Total number of publications: 70
2023
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αCharges: partial atomic charges for AlphaFold structures in high quality
Nucleic Acids Research, year: 2023, volume: 51, edition: W1, DOI
2022
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Automatic storing, sharing and archiving datasets with Onedata
Year: 2022, type: Appeared in Conference without Proceedings
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Automating scientific dataset management and processing using Onedata
Year: 2022, type: Appeared in Conference without Proceedings
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Collective Variable for Metadynamics Derived From AlphaFold Output
FRONTIERS IN MOLECULAR BIOSCIENCES, year: 2022, volume: 2022, edition: 9, DOI
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Property Map Collective Variable as a Useful Tool for a Force Field Correction
Journal of Chemical Information and Modeling, year: 2022, volume: 62, edition: 3, DOI
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The EurOPDX Data Portal: an open platform for patient-derived cancer xenograft data sharing and visualization
BMC Genomics, year: 2022, volume: 23, edition: 1, DOI
2021
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Complex simulation workflows in containerized high-performance environment
Proc. ESM 2021, year: 2021
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Similarity Search for an Extreme Application: Experience and Implementation
Similarity Search and Applications: 14th International Conference, SISAP 2021, Dortmund, Germany, September 29 - October 1, 2021, Proceedings, year: 2021
2020
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Exploring Protein Folding Space with Neural Network Guided Simulations
MODELLING AND SIMULATION 2020, year: 2020
2019
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West-Life: A Virtual Research Environment for structural biology
Journal of Structural Biology: X, year: 2019, volume: 1, edition: January - March 2019, DOI