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Enhanced Sampling Approach to the Induced-Fit Docking Problem in Protein–Ligand Binding: The Case of Mono-ADP-Ribosylation Hydrolase Inhibitors2021 Journal of Chemical Theory and Computation article Computer Science Computational Drug Discovery Methods Open access
Qianqian Zhao, Riccardo Capelli, Paolo Carloni, Bernhard Lüscher, Jinyu Li, Giulia Rossetti
28citations -
NeuroFAIR curator: an AI-assisted framework for metadata enrichment, quality screening, curation prioritization, and FAIR readiness of brain tumor MRI data2026 Frontiers in Neuroinformatics article Computer Science Research Data Management Practices Open access
Faizan Ullah, Zaheer Abbas, Mohmmad Abrar, Farhan Amin, N. Jon Shah
0citations -
A framework for sharing of clinical and genetic data for precision medicine applications2024 Nature Medicine article Computer Science Blockchain Technology Applications and Security Open access
Ulugbek K. Baymuradov, Ernest Fraenkel, Lyle W. Ostrow, Andrea Malaspina, Pietro Fratta, Jennifer E. Phillips‐Cremins
37citations -
Regeneration of pavement surface textures using M‐sigmoid‐normalized generative adversarial networks2023 Computer-Aided Civil and Infrastructure Engineering article Computer Science Generative Adversarial Networks and Image Synthesis Open access
Jiale Lu, Baofeng Pan, Weixin Ren, Quan Liu, Pengfei Liu, Markus Oeser
28citations -
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Ke Zuo, Riccardo Capelli, Giulia Rossetti, Rachel Nechushtai, Paolo Carloni
8citations -
Multiple Poses and Thermodynamics of Ligands Targeting Protein Surfaces: The Case of Furosemide Binding to mitoNEET in Aqueous Solution2022 Frontiers in Cell and Developmental Biology article Computer Science Computational Drug Discovery Methods Open access
Gia Linh Hoang, Jonas Goßen, Riccardo Capelli, Toan T. Nguyen, Zhaoxi Sun, Ke Zuo, +3 more
6citations -
VReedom: training for authorized leave of absence through virtual reality – a feasibility study2023 Frontiers in Psychology article Computer Science Virtual Reality Applications and Impacts Open access
Cylia Hendriks, Jochem Milan Jansen, Lisanne M Smulders, Arne Popma, Thimo M. van der Pol
6citations