X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease S Günther, PYA Reinke, Y Fernández-García, J Lieske, TJ Lane, HM Ginn, ... Science 372 (6542), 642-646, 2021 | 284 | 2021 |
Modeling of the planetary ball-milling process: The case study of ceramic powders M Broseghini, L Gelisio, M D’Incau, CLA Ricardo, NM Pugno, P Scardi Journal of the European Ceramic Society 36 (9), 2205-2212, 2016 | 95 | 2016 |
Megahertz single-particle imaging at the European XFEL E Sobolev, S Zolotarev, K Giewekemeyer, J Bielecki, K Okamoto, ... Communications Physics 3 (1), 97, 2020 | 91 | 2020 |
Real-space calculation of powder diffraction patterns on graphics processing units L Gelisio, CL Azanza Ricardo, M Leoni, P Scardi Journal of Applied Crystallography 43 (3), 647-653, 2010 | 53 | 2010 |
Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography S Pandey, G Calvey, AM Katz, TN Malla, FHM Koua, JM Martin-Garcia, ... IUCrJ 8 (6), 878-895, 2021 | 52 | 2021 |
100 years of Debye's scattering equation L Gelisio, P Scardi Acta Crystallographica Section A: Foundations and Advances 72 (6), 608-620, 2016 | 43 | 2016 |
Anisotropic atom displacement in Pd nanocubes resolved by molecular dynamics simulations supported by x-ray diffraction imaging P Scardi, A Leonardi, L Gelisio, MR Suchomel, BT Sneed, MK Sheehan, ... Physical Review B 91 (15), 155414, 2015 | 43 | 2015 |
Effect of jar shape on high-energy planetary ball milling efficiency: Simulations and experiments M Broseghini, M D'Incau, L Gelisio, NM Pugno, P Scardi Materials & Design 110, 365-374, 2016 | 38 | 2016 |
Coherent X-ray imaging of CO-adsorption-induced structural changes in Pt nanoparticles: implications for catalysis M Abuin, YY Kim, H Runge, S Kulkarni, S Maier, D Dzhigaev, S Lazarev, ... ACS Applied Nano Materials 2 (8), 4818-4824, 2019 | 27 | 2019 |
Gas-Induced Segregation in Pt-Rh Alloy Nanoparticles Observed by In Situ Bragg Coherent Diffraction Imaging T Kawaguchi, TF Keller, H Runge, L Gelisio, C Seitz, YY Kim, ER Maxey, ... Physical review letters 123 (24), 246001, 2019 | 26 | 2019 |
Vibrational Properties of Nanocrystals from the Debye Scattering Equation P Scardi, L Gelisio Scientific Reports 6 (22221), 2016 | 26 | 2016 |
Ghost imaging at an XUV free-electron laser YY Kim, L Gelisio, G Mercurio, S Dziarzhytski, M Beye, L Bocklage, ... Physical Review A 101 (1), 013820, 2020 | 25 | 2020 |
Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease V Srinivasan, H Brognaro, PR Prabhu, EE de Souza, S Günther, ... Communications biology 5 (1), 805, 2022 | 21 | 2022 |
An advanced workflow for single-particle imaging with the limited data at an X-ray free-electron laser D Assalauova, YY Kim, S Bobkov, R Khubbutdinov, M Rose, R Alvarez, ... IUCrJ 7 (6), 1102-1113, 2020 | 21 | 2020 |
Observation of a single protein by ultrafast X-ray diffraction T Ekeberg, D Assalauova, J Bielecki, R Boll, BJ Daurer, LA Eichacker, ... Light: Science & Applications 13 (1), 15, 2024 | 18 | 2024 |
Classification of diffraction patterns in single particle imaging experiments performed at x-ray free-electron lasers using a convolutional neural network A Ignatenko, D Assalauova, SA Bobkov, L Gelisio, AB Teslyuk, VA Ilyin, ... Machine Learning: Science and Technology 2 (2), 025014, 2021 | 18 | 2021 |
Homogeneity of ball milled ceramic powders: Effect of jar shape and milling conditions M Broseghini, M D’Incau, L Gelisio, NM Pugno, P Scardi Data in brief 10, 186-191, 2017 | 17 | 2017 |
Gold Standard for macromolecular crystallography diffraction data HJ Bernstein, A Förster, A Bhowmick, AS Brewster, S Brockhauser, ... IUCrJ 7 (5), 784-792, 2020 | 15 | 2020 |
Data reduction for serial crystallography using a robust peak finder M Hadian-Jazi, A Sadri, A Barty, O Yefanov, M Galchenkova, D Oberthuer, ... Journal of applied crystallography 54 (5), 1360-1378, 2021 | 14 | 2021 |
Atomistic modeling of lattice relaxation in metallic nanocrystals L Gelisio, KR Beyerlein, P Scardi Thin Solid Films 530, 35-39, 2013 | 14 | 2013 |