Papers matching “computational methods” 4,837
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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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Parallel Constrained Multi-Objective Optimization for Ship Design Damage Stability Problem with (In)Expensive Function Evaluations0citations
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Spectral observations at the Canary Island Long-Baseline Observatory (CILBO): calibration and datasets2023 Geoscientific instrumentation, methods and data systems article Physics and Astronomy Astro and Planetary Science Open access
Joe Zender, D. Koschny, Regina Rudawska, Salvatore Vicinanza, Stefan Loehle, Martin F. Eberhart, +5 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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