Project Department

Articles

• Acceleration of Molecular Simulations by Parametric Time-Lagged tSNE Metadynamics

  HRADISKÁ Helena KUREČKA Martin BERÁNEK Jan TEDESCHI Guglielmo VIŠŇOVSKÝ Vladimír KŘENEK Aleš SPIWOK Vojtěch

  Article in Periodical

  The Journal of Physical Chemistry B, year: 2024, DOI

• Analysis of metadynamics simulations by metadynminer.py

  BERANEK Jan KŘENEK Aleš SPIWOK Vojtěch

  Article in Periodical

  Bioinformatics, year: 2024, volume: 40, edition: 10, DOI

• Getting your DUCs in a row - standardising the representation of Digital Use Conditions

  JEANSON Francis GIBSON Spencer J ALPER Pinar BERNIER Alexander WOOLLEY J Patrick MIETCHEN Daniel STRUG Andrzej BECKER Regina KAMERLING Pim GONZALEZ Maria del Carmen Sanchez MAH Nancy NOVAKOWSKI Ann WILKINSON Mark D BENHAMED Oussama Mohammed LANDI Annalisa KROG Georg Philip MÜLLER Heimo RIAZ Umar VEAL Colin HOLUB Petr VAN ENCKEVORT Esther BROOKES Anthony J

  Article in Periodical

  SCIENTIFIC DATA, year: 2024, volume: 11, edition: 1, DOI

• Interpreting convolutional neural network classifiers applied to laser-induced breakdown optical emission spectra

  KÉPEŠ Erik VRÁBEL Jakub BRÁZDIL Tomáš HOLUB Petr POŘÍZKA Pavel KAISER Jozef

  Article in Periodical

  Talanta, year: 2024, volume: 266, edition: 124946, DOI

• Proposal for a framework of contextual metadata in selected research infrastructures of the life sciences and the social sciences & humanities

  OHMANN Christian PANAGIOTOPOULOU Maria CANHAM Steve HOLUB Petr MAJCEN Kurt SAUNDERS Gary FRATELLI Maddalena TANG Jing GRIBBON Philip KARKI Reagon KLEEMOLA Mari MOILANEN Katja BROEDER Daan DAELEMANS Walter FIVEZ Pieter

  Article in Periodical

  International Journal of Metadata, Semantics and Ontologies, year: 2024, volume: 16, edition: 4

• Quantum Chemistry-Based Prediction of Electron Ionization Mass Spectra for Environmental Chemicals

  HECHT Helge ROJAS VERASTEGUI Wudmir Yudy AHMAD Zargham KŘENEK Aleš KLÁNOVÁ Jana PRICE Elliott James

  Article in Periodical

  Analytical chemistry, year: 2024, volume: 96, edition: 33, DOI

• Toward a common standard for data and specimen provenance in life sciences

  WITTNER Rudolf HOLUB Petr MASCIA Cecilia FREXIA Francesca MÜLLER Heimo PLASS Markus ALLOCCA Clare BETSOU Fay BURDETT Tony CANCIO Ibon CHAPMAN Adriane CHAPMAN Martin COURTOT Mélanie CURCIN Vasa EDER Johann ELLIOT Mark EXTER Katrina GOBLE Carole GOLEBIEWSKI Martin KISLER Bron KREMER Andreas LEO Simone LIN-GIBSON Sheng MARSANO Anna MATTAVELLI Marco MOORE Josh NAKAE Hiroki PERSEIL Isabelle SALMAN Ayat SLUKA James SOILAND-REYES Stian STRAMBIO-DE-CASTILLIA Caterina SUSSMAN Michael SWEDLOW Jason R ZATLOUKAL Kurt GEIGER Jörg

  Article in Periodical

  LEARNING HEALTH SYSTEMS, year: 2024, volume: 8, edition: 1, DOI