Cu (II)–Zn (II) Cross-Modulation in Amyloid–Beta Peptide Binding: An X-ray Absorption Spectroscopy Study E De Santis, V Minicozzi, O Proux, G Rossi, KI Silva, MJ Lawless, ...
The Journal of Physical Chemistry B 119 (52), 15813-15820, 2015
19 2015 Protein orientation in time-dependent electric fields: orientation before destruction A Sinelnikova, T Mandl, H Agelii, O Grånäs, EG Marklund, C Caleman, ...
Biophysical Journal 120 (17), 3709-3717, 2021
15 2021 Multi-scale theoretical approach to X-ray absorption spectra in disordered systems: An application to the study of Zn (II) in water F Stellato, M Calandra, F d'Acapito, E De Santis, G La Penna, G Rossi, ...
Physical Chemistry Chemical Physics 20 (38), 24775-24782, 2018
13 2018 Dealing with Cu reduction in X-ray absorption spectroscopy experiments F Stellato, R Chiaraluce, V Consalvi, E De Santis, G La Penna, O Proux, ...
Metallomics 11 (8), 1401-1410, 2019
11 2019 X-Ray absorption spectroscopy measurements of Cu-ProIAPP complexes at physiological concentrations E De Santis, E Shardlow, F Stellato, O Proux, G Rossi, C Exley, S Morante
Condensed Matter 4 (1), 13, 2019
7 2019 Stability and conformational memory of electrosprayed and rehydrated bacteriophage MS2 virus coat proteins MN Brodmerkel, E De Santis, C Uetrecht, C Caleman, EG Marklund
Current Research in Structural Biology 4, 338-348, 2022
5 2022 Coherent diffractive imaging of proteins and viral capsids: simulating MS SPIDOC T Kierspel, A Kadek, P Barran, B Bellina, A Bijedic, MN Brodmerkel, ...
Analytical and bioanalytical chemistry 415 (18), 4209-4220, 2023
3 2023 Experimental and theoretical near-edge x-ray-absorption fine-structure studies of R Lindblad, L Kjellsson, E De Santis, V Zamudio-Bayer, B Von Issendorff, ...
Physical Review A 106 (4), 042814, 2022
3 2022 The role of metals in protein conformational disorders-The case of prion protein and Aβ-peptide E De Santis, V Minicozzi, S Morante, GC Rossi, F Stellato
Journal of Physics: Conference Series 689 (1), 012028, 2016
2 2016 Rehydration post-orientation: Investigating field-induced structural changes via computational rehydration MN Brodmerkel, E De Santis, C Caleman, EG Marklund
The Protein Journal 42 (3), 205-218, 2023
1 2023 A beta peptides and beta-sheet breakers. A coarse grained molecular dynamics approach using GO-Martini A Dhar, E De Santis, G Rossi, F Stellato, S Morante
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 233, S126-S126, 2019
1 2019 Probing the Dynamic Landscape: from Static to Time‐Resolved X‐ray Absorption Spectroscopy to Investigate Copper Redox Chemistry in Neurodegenerative Disorders E De Santis, S Alleva, V Minicozzi, F Stellato
ChemPlusChem, e202300712, 2024
2024 Enhanced EMC—Advantages of partially known orientations in x-ray single particle imaging A Wollter, E De Santis, T Ekeberg, EG Marklund, C Caleman
The Journal of Chemical Physics 160 (11), 2024
2024 MolDStruct: modelling the dynamics and structure of matter exposed to ultrafast X-ray lasers with hybrid collisional-radiative/molecular dynamics I Dawod, S Cardoch, T André, E De Santis, AP Mancuso, C Caleman, ...
arXiv preprint arXiv:2401.03180, 2024
2024 Collision induced unfolding and molecular dynamics simulations of norovirus capsid dimers reveal strain-specific stability profiles MN Brodmerkel, L Thiede, E De Santis, C Uetrecht, C Caleman, ...
Physical Chemistry Chemical Physics, 2024
2024 Shell-Dependent Photofragmentation Dynamics of a Heavy-Atom-Containing Bifunctional Nitroimidazole Radiosensitizer L Pihlava, PHW Svensson, E Kukk, K Kooser, E De Santis, A Tõnisoo, ...
Physical Chemistry Chemical Physics, 2024
2024 Radiation damage in hemoglobin studied with an X-ray free-electron laser M Galchenkova, I Dawod, J Sprenger, D Oberthur, S Cardoch, ...
2024 Simulated collision induced unfolding of norovirus capsid dimers reveal strain-specific stability profiles MN Brodmerkel, E De Santis, C Uetrecht, C Caleman, EG Marklund
Physical Chemistry, Chemical Physics-PCCP, 2023
2023 Redox structures of high potential iron sulfur protein revealed by megahertz serial femtosecond crystallography F Koua, I Eliah Dawod, J Bielecki, M Kloos, E De Santis, D Melo, ...
ACS Publications Symposium: Biological and Medicinal Chemistry, 2023
2023 Molecular dynamics simulations reveal barrel opening during the unfolding of the outer membrane protein FhaC M Brodmerkel, E De Santis, A Konijnenberg, F Sobott, EG Marklund
2023