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Molecular Ecology Resources|August 17, 2024
MycoAI: Fast and accurate taxonomic classification for fungal ITS sequencesLuuk Romeijn, Andrius Bernatavicius, Duong VuJournal of Chemical Information and Modeling|December 10, 2024
Docking-Informed Machine Learning for Kinome-wide Affinity PredictionJordy Schifferstein, Andrius Bernatavicius, Antonius P A JanssenBioinformatics (Oxford, England)|February 5, 2024
PMIpred: a physics-informed web server for quantitative protein-membrane interaction predictionNiek van Hilten, Nino Verwei, Jeroen Methorst, et al.Journal of Chemical Information and Modeling|October 30, 2024
AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative ModelsAndrius Bernatavicius, Martin Šícho, Antonius P A Janssen, et al.Journal of the American Chemical Society|July 10, 2026
Automated Parallel Synthesis Accelerates Virtual Screening Hit DiscoverySean M McKenna, Martin Šícho, Cas van der Horst, et al.Journal of Cheminformatics|March 29, 2025
Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug designAlan Kai Hassen, Martin Šícho, Yorick J van Aalst, et al.Journal of Cheminformatics|November 15, 2024
QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling ToolHelle W van den Maagdenberg, Martin Šícho, David Alencar Araripe, et al.Pageof 1