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Accompanying data - UnCorrupt SMILES: a novel approach to de novo design2022 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Linde Schoenmaker, Olivier J.M. Béquignong, Willem Jespers, Gerard J. P. van Westen
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Data underlying the article: 3DDPDs: Describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors2023 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Marina Gorostiola González, Remco L. van den Broek, Magdalini Chatzopoulou, Willem Jespers, Adriaan P. IJzerman, Laura H. Heitman, +1 more
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Data and code supporting: From Phenotypic Screening to Target and Compound Prioritization for Autosomal Dominant Polycystic Kidney Disease2026 Zenodo (CERN European Organization for Nuclear Research) dataset Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
David Alencar Araripe, Margarita Iljin, Hester Bange, Leo Price, Rongfang Liu, Daan van der Es, +3 more
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Molecular Dynamics Simulation Data for "Polyamine dysregulation causes resistance to sodium channel–targeting antiseizure medications"0citations
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Data underlying the article: 3DDPDs: Describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors2023 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Marina Gorostiola González, Remco L. van den Broek, Magdalini Chatzopoulou, Willem Jespers, Adriaan P. IJzerman, Laura H. Heitman, +1 more
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Reproduction package: Network-based prioritisation versus a phenotype-based comparator for drug repurposing in Alzheimer's disease (NeDRex) (v2: sensitivity analysis, external validation, Table 3)0citations
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Accompanying data - Papyrus - A large scale curated dataset aimed at bioactivity predictions2024 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Olivier J. M. Béquignon, Brandon J. Bongers, Willem Jespers, Adriaan P. IJzerman, Bob van de Water, Gerard J. P. van Westen
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Accompanying data - Papyrus - A large scale curated dataset aimed at bioactivity predictions2022 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Olivier J. M. Béquignon, Brandon J. Bongers, Willem Jespers, Adriaan P. IJzerman, Bob van de Water, Gerard J. P. van Westen
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Data underlying the article: 3DDPDs: Describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors2023 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Marina Gorostiola González, Remco L. van den Broek, Magdalini Chatzopoulou, Willem Jespers, Adriaan P. IJzerman, Laura H. Heitman, +1 more
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Rational design of small molecule antagonists of the gastrin-releasing peptide receptor: insights from molecular dynamics simulations2026 Zenodo (CERN European Organization for Nuclear Research) dataset Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Camilla Guccione, Silvia I. Gervasoni, Giulia Rossetti, Giuliano Malloci
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Rational design of small molecule antagonists of the gastrin-releasing peptide receptor: insights from molecular dynamics simulations2026 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Camilla Guccione, Silvia Gervasoni, Giulia Rossetti, Giuliano Malloci
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Iterative Bleaching Extends Multiplexity (IBEX) Knowledge-Base2025 Zenodo (CERN European Organization for Nuclear Research) dataset Biochemistry, Genetics and Molecular Biology Advanced Fluorescence Microscopy Techniques Open access
Ziv Rafael Yaniv, Ifeanyichukwu U. Anidi, Leanne Arakkal, Armando Arroyo-Mejías, Rebecca T. Beuschel, Katy Börner, +27 more
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2DeteCT - A large 2D expandable, trainable, experimental Computed Tomography dataset for machine learning: Slices OOD (reference reconstructions and segmentations)2023 Zenodo (CERN European Organization for Nuclear Research) dataset Medicine Medical Imaging Techniques and Applications Open access
Maximilian B. Kiss, Sophia Bethany Coban, K. Joost Batenburg, Tristan van Leeuwen, Felix F. Lucka
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2DeteCT - A large 2D expandable, trainable, experimental Computed Tomography dataset for machine learning: Slices OOD2023 Zenodo (CERN European Organization for Nuclear Research) dataset Medicine Medical Imaging Techniques and Applications Open access
Maximilian B. Kiss, Sophia Bethany Coban, K. Joost Batenburg, Tristan van Leeuwen, Felix F. Lucka
0citations