Marta Bon

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Daniele PasseroneEmpa, Swiss Federal Laboratories for Materials Science and Technology, Dübendorf, SwitzerlandVerified email at empa.ch
Rolf ErniElectron Microscopy Center, Empa, Swiss Federal Laboratories for Materials Science and TechnologyVerified email at empa.ch
Teodoro LainoIBM Research ZurichVerified email at zurich.ibm.com
Lorenz GublerElectrochemistry Laboratory, Paul Scherrer Institut, CH-5232 Villigen PSI, SwitzerlandVerified email at psi.ch
Thomas J. SchmidtProfessor for Electrochemistry, ETH Zürich and Paul Scherrer InstitutVerified email at psi.ch
Nabeel AhmadNUSTVerified email at scme.nust.edu.pk
Daniela PolinoResearcher at University of Applied Sciences and Arts of Southern SwitzerlandVerified email at supsi.ch
Alessandra MagistratoResearch Director, CNR-IOM at SISSAVerified email at sissa.it
Jacopo SgrignaniScientist, IRB, BellinzonaVerified email at irb.usi.ch
Giorgio ColomboUniversity of PaviaVerified email at unipv.it
Wissam A. SaidiUniversity of Pittsburgh; Mechanical Engineering and Materials ScienceVerified email at pitt.edu
Christopher M. AndolinaMechanical Engineering and Material Science Department, University of PittsburghVerified email at pitt.edu
Trond Rypdal HenninenElectron Microscopy Center, Empa, Swiss Federal Laboratories for Materials Science and TechnologyVerified email at empa.ch
Feng WangVerified email at physik.hu-berlin.de
michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
Alessandro CurioniIBM Fellow - VP Europe & Africa and Director - IBM Research ZurichVerified email at zurich.ibm.com
GiovanniMaria PicciniAssociate professor of theoretical chemistry at Università degli Studi di Modena e Reggio EmiliaVerified email at unimore.it
Michael AgiorgousisMIT Lincoln LaboratoryVerified email at ll.mit.edu
Kristjan EimreEPFLVerified email at epfl.ch
Carlo Antonio PignedoliEmpaVerified email at empa.ch

Marta Bon

Exscientia

Verified email at exscientia.co.uk

Computational Chemistry


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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	88	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	52	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	45	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	39	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	38	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	30	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	29	2019
Reactivity of covalent fragments and their role in fragment based drug discovery K McAulay, A Bilsland, M Bon Pharmaceuticals 15 (11), 1366, 2022	28	2022
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	25	2018
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	15	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	2	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

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