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QligFEP-2: an automated workflow for small molecule free energy calculations in Q2025 ChemRxiv preprint Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
David Alencar Araripe, Alejandro Díaz‐Holguín, Antti Poso, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutiérrez‐de‐Terán, +1 more
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Uncertainty quantification in coastal aquifers using the multilevel Monte Carlo method2023 arXiv (Cornell University) preprint Decision Sciences Probabilistic and Robust Engineering Design Open access
Alexander Litvinenko, Dmitry Logashenko, Raul F. Tempone, Gabriel Wittum, Ekaterina Vasilyeva
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Rethinking Timing Residuals: Advancing PET Detectors with Explicit TOF Corrections2025 arXiv (Cornell University) preprint Physics and Astronomy Radiation Detection and Scintillator Technologies Open access
Stephan Naunheim, L. Lopes de Paiva, Vanessa Nadig, Yannick Kuhl, S. Gundacker, Florian Mueller, +1 more
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PyLabRobot: An Open-Source, Hardware Agnostic Interface for Liquid-Handling Robots and Accessories2023 bioRxiv (Cold Spring Harbor Laboratory) preprint Decision Sciences Scientific Computing and Data Management Open access
Rick P. Wierenga, Stefan M. Golas, Wilson Ho, Connor W. Coley, Kevin M. Esvelt
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Landscape-Aware Automated Algorithm Configuration using Multi-output Mixed Regression and Classification2024 arXiv (Cornell University) preprint Computer Science Metaheuristic Optimization Algorithms Research Open access
Fu Xing Long, Moritz A. Frenzel, Markus Gitterle, Thomas Bäck, Bas van Stein
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QligFEP-2: an automated workflow for small molecule free energy calculations in Q2025 ChemRxiv preprint Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
David Alencar Araripe, Alejandro Díaz‐Holguín, Antti Poso, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutiérrez‐de‐Terán, +1 more
0citations -
Lignin degradation and valorization by Pseudomonas putida KT2440: a new role for glutathione peroxidase2025 bioRxiv (Cold Spring Harbor Laboratory) preprint Engineering Lignin and Wood Chemistry Open access
Qing Zhou, Annabel Fransen, Paolo Innocenti, Arthur F. J. Ram, Johannes H. DE WINDE
0citations