Papers matching “computational methods” 2,863
Not finding it? Sign in to also search OpenAlex live.
-
Translational Application of the Five-Star Matrix for the Structure-Guided Optimization of a Bicyclopiperazine DEL Hit into Bcpz 1.5: A Potent Monoacylglycerol Lipase Inhibitor with Functional Inhibition in Human Brain Homogenate and Efficacy in Neuroinflammatory Models2026 Journal of Medicinal Chemistry article Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods
Benjamin Brennecke, Louise Plais, Benoit Hornsperger, Martin Binder, Christian Bartelmus, Markus Bürkler, +32 more
0citations -
Structural determinants of Mac1 inhibition: Lessons from ligand binding patterns2026 International Journal of Biological Macromolecules article Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Verena Weber, Sarah Knapp, Patricia Korn, Bernhard Lüscher, Giulia Rossetti
0citations -
MetalDock: an open access docking tool for easy and reproducible docking of metal complexes2023 Zenodo (CERN European Organization for Nuclear Research) article Computer Science Computational Drug Discovery Methods Open access
Matthijs L. A. Hakkennes, Francesco Buda, Sylvestre A. Bonnet
0citations -
GraphXForm: graph transformer for computer-aided molecular design2025 JuSER Publikationsportal article Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Jonathan Pirnay, Jan G. Rittig, Alexander Wolf, Martin Grohe, Jakob Burger, Alexander Mitsos, +1 more
0citations -
Firearm examination: Examiner judgments and computer‐based comparisons2020 Journal of Forensic Sciences article Social Sciences Legal processes and jurisprudence Open access
Erwin J.A.T. Mattijssen, Cilia L. M. Witteman, Charles E.H. Berger, Xiaoyu A. Zheng, Johannes A. Soons, Reinoud D. Stoel
25citations -
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer2025 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Flaviano Della Pia, Benjamin X. Shi, Yasmine S. Al-Hamdani, Dario Alfè, Tyler A. Anderson, Matteo Barborini, +25 more
13citations -
Toward ubiquitous surgical assistance services via private 5G infrastructure2026 International Journal of Computer Assisted Radiology and Surgery article Computer Science IoT and Edge/Fog Computing Open access
Philipp Schollmaier, Benjamin Hohlmann, Noah Wickel, Ha Uyen Nguyen, Okan Yılmaz, Alisa Kovler, +4 more
0citations