| In silico analysis of the binding of anthelmintics to Caenorhabditis elegans P-glycoprotein 1 MA David, S Orlowski, RK Prichard, S Hashem, F André, A Lespine International Journal for Parasitology: Drugs and Drug Resistance 6 (3), 299-313, 2016 | 31 | 2016 |
| Allosteric modulation of cardiac myosin dynamics by omecamtiv mecarbil S Hashem, M Tiberti, A Fornili PLoS computational biology 13 (11), e1005826, 2017 | 26 | 2017 |
| Fast method for excited-state dynamics in complex systems and its application to the photoactivation of a blue light using flavin photoreceptor P Mazzeo, S Hashem, F Lipparini, L Cupellini, B Mennucci The journal of physical chemistry letters 14 (5), 1222-1229, 2023 | 23 | 2023 |
| An Activity‐Based Probe Targeting Non‐Catalytic, Highly Conserved Amino Acid Residues within Bromodomains M D'Ascenzio, KM Pugh, R Konietzny, G Berridge, C Tallant, S Hashem, ... Angewandte Chemie International Edition 58 (4), 1007-1012, 2019 | 23 | 2019 |
| From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain S Hashem, V Macaluso, M Nottoli, F Lipparini, L Cupellini, B Mennucci Chemical Science 12 (40), 13331-13342, 2021 | 16 | 2021 |
| Ultrafast transient infrared spectroscopy of photoreceptors with polarizable QM/MM dynamics V Macaluso, S Hashem, M Nottoli, F Lipparini, L Cupellini, B Mennucci The Journal of Physical Chemistry B 125 (36), 10282-10292, 2021 | 12 | 2021 |
| A polarisable QM/MM description of NMR chemical shifts of a photoreceptor protein S Hashem, L Cupellini, F Lipparini, B Mennucci Molecular Physics 118 (19-20), e1771449, 2020 | 10 | 2020 |
| Heart failure drug modifies the intrinsic dynamics of the pre-power stroke state of cardiac myosin S Hashem, WG Davies, A Fornili Journal of Chemical Information and Modeling 60 (12), 6438-6446, 2020 | 6 | 2020 |
| Integrated computational study of the light-activated structure of the appa bluf domain and its spectral signatures S Hashem, GB Alteri, L Cupellini, B Mennucci The Journal of Physical Chemistry A 127 (23), 5065-5074, 2023 | 4 | 2023 |
| Ligand-Induced Biased Activation of GPCRs: Recent Advances and New Directions from In Silico Approaches S Hashem, A Dougha, P Tufféry Molecules 30 (5), 1047, 2025 | | 2025 |
| Structural insights into peptide recognition of PTH receptor S Hashem, S Murail, P Tuffery JOURNAL OF PEPTIDE SCIENCE 30, 2024 | | 2024 |
| Can large-scale structural modeling be applied to peptide screening and deorphanization? P Tuffery, S Hashem, J Leprince JOURNAL OF PEPTIDE SCIENCE 30, 2024 | | 2024 |
| In silico study of mechanisms of functional modulation of cardiac myosin S Hashem Queen Mary University of London, 2019 | | 2019 |
| Allosteric Modulation of Cardiac Myosin Dynamics by Omecamtiv Mecarbil S Hashem, M Tiberti, A Fornili Biophysical Journal 114 (3), 36a-37a, 2018 | | 2018 |
| Modulation of cardiac myosin dynamics by omecamtiv mecarbil S Hashem, M Tiberti, A Fornili | | |
arianna forniliQueen Mary University of LondonEmail verificata su qmul.ac.uk
