Fragment‐based drug discovery—the importance of high‐quality molecule libraries M Bon, A Bilsland, J Bower, K McAulay Molecular Oncology 16 (21), 3761-3777, 2022 | 58 | 2022 |
Computational approaches elucidate the allosteric mechanism of human aromatase inhibition: a novel possible route to Small-molecule regulation of CYP450s activities? J Sgrignani, M Bon, G Colombo, A Magistrato Journal of chemical information and modeling 54 (10), 2856-2868, 2014 | 50 | 2014 |
Robust, multi-length-scale, machine learning potential for Ag–Au bimetallic alloys from clusters to bulk materials CM Andolina, M Bon, D Passerone, WA Saidi The Journal of Physical Chemistry C 125 (31), 17438-17447, 2021 | 38 | 2021 |
Template-Assisted in Situ Synthesis of Ag@Au Bimetallic Nanostructures Employing Liquid-Phase Transmission Electron Microscopy N Ahmad, M Bon, D Passerone, R Erni ACS nano 13 (11), 13333-13342, 2019 | 37 | 2019 |
The Structure of Sub‐nm Platinum Clusters at Elevated Temperatures TR Henninen, M Bon, F Wang, D Passerone, R Erni Angewandte Chemie International Edition 59 (2), 839-845, 2020 | 34 | 2020 |
Characterization of vanadium species in mixed chloride–sulfate solutions: An ab initio metadynamics study M Bon, T Laino, A Curioni, M Parrinello The Journal of Physical Chemistry C 120 (20), 10791-10798, 2016 | 28 | 2016 |
The reaction mechanism of the azide–alkyne Huisgen cycloaddition M Danese, M Bon, GM Piccini, D Passerone Physical Chemistry Chemical Physics 21 (35), 19281-19287, 2019 | 23 | 2019 |
Revealing the role of phosphoric acid in all-vanadium redox flow batteries with DFT calculations and in situ analysis FJ Oldenburg, M Bon, D Perego, D Polino, T Laino, L Gubler, TJ Schmidt Physical Chemistry Chemical Physics 20 (36), 23664-23673, 2018 | 23 | 2018 |
Reactivity of covalent fragments and their role in fragment based drug discovery K McAulay, A Bilsland, M Bon Pharmaceuticals 15 (11), 1366, 2022 | 22 | 2022 |
Unraveling the interaction mechanism between amidoxime groups and vanadium ions at various pH conditions O Nibel, M Bon, ML Agiorgousis, T Laino, L Gubler, TJ Schmidt The Journal of Physical Chemistry C 121 (12), 6436-6445, 2017 | 18 | 2017 |
Atomic-resolution differential phase contrast STEM on ferroelectric materials: A mean-field approach M Campanini, K Eimre, M Bon, CA Pignedoli, MD Rossell, R Erni Physical Review B 101 (18), 184116, 2020 | 13 | 2020 |
Reliability of two Embedded Atom Models for the Description of Au-Ag Nanoalloys M Bon, N Ahmad, R Erni, D Passerone arXiv preprint arXiv:1904.10817, 2019 | 9 | 2019 |
Conformational study into N-alkyl-N′-aryl ureas to inform drug discovery HL Stewart, M Bon, C Wills, MP Martin, LZ Wang, ES Mackenzie, ... Bioorganic & Medicinal Chemistry 91, 117387, 2023 | 1 | 2023 |
Net electrophilicity as computational route for the choice of favorable ionic liquids in nanoparticle production M Bon, D Keller, R Erni, D Passerone arXiv preprint arXiv:2306.15066, 2023 | | 2023 |