Local complete active space second-order perturbation theory using pair natural orbitals (PNO-CASPT2) F Menezes, D Kats, HJ Werner The Journal of Chemical Physics 145 (12), 2016 | 106 | 2016 |
Methods for the analysis of complex fluorescence decays: Sum of Becquerel functions versus sum of exponentials F Menezes, A Fedorov, C Baleizao, B Valeur, MN Berberan-Santos Methods and applications in fluorescence 1 (1), 015002, 2013 | 41 | 2013 |
Isocyanide complexes with platinum and palladium and their reactivity toward cycloadditions with nitrones to form aminooxycarbenes: A theoretical study FMC Menezes, ML Kuznetsov, AJL Pombeiro Organometallics 28 (22), 6593-6602, 2009 | 33 | 2009 |
Silmitasertib (CX-4945), a clinically used CK2-kinase inhibitor with additional effects on GSK3β and DYRK1A kinases: A structural perspective P Grygier, K Pustelny, J Nowak, P Golik, GM Popowicz, O Plettenburg, ... Journal of medicinal chemistry 66 (6), 4009-4024, 2023 | 27 | 2023 |
MISATO: machine learning dataset of protein–ligand complexes for structure-based drug discovery T Siebenmorgen, F Menezes, S Benassou, E Merdivan, K Didi, ... Nature Computational Science, 1-12, 2024 | 14 | 2024 |
ULYSSES: An Efficient and Easy to Use Semiempirical Library for C++ F Menezes, GM Popowicz Journal of Chemical Information and Modeling 62 (16), 3685-3694, 2022 | 12 | 2022 |
Anion binding by fluorescent ureido-hexahomotrioxacalix [3] arene receptors: An NMR, absorption and emission spectroscopic study AS Miranda, PM Marcos, JR Ascenso, MN Berberan-Santos, F Menezes Molecules 27 (10), 3247, 2022 | 9 | 2022 |
Acid Rain and Flue Gas: Quantum Chemical Hydrolysis of NO2 F Menezes, GM Popowicz ChemPhysChem 23 (21), e202200395, 2022 | 8 | 2022 |
Synthesis and Chemiluminescence Studies of Luminol and Derivatives FMC Menezes MSc. Dissertation, Technical University of Lisboa, Spain, 2010 | 5 | 2010 |
How to Catch the Ball: Fullerene Binding to the Corannulene Pincer F Menezes, GM Popowicz Molecules 27 (12), 3838, 2022 | 4 | 2022 |
A local complete active space 2nd-order perturbation theory method F Menezes Universitätsbibliothek der Universität Stuttgart, 2016 | 3 | 2016 |
Can Quantum Chemistry Improve the understanding of Protein-Ligand Interactions? Implications for Structure Based Drug Discovery F Menezes, T Fröhlich, GM Popowicz bioRxiv, 2023.06. 01.543295, 2023 | 2 | 2023 |
Structural perspective on the design of selective DYRK1B inhibitors P Grygier, K Pustelny, F Menezes, M Jemiola-Rzeminska, P Suder, ... bioRxiv, 2022.12. 23.521429, 2022 | 2 | 2022 |
SARS-CoV-2 Mpro oligomerization as a potential target for therapy K Lis, J Plewka, F Menezes, E Bielecka, Y Chykunova, K Pustelny, ... International Journal of Biological Macromolecules 267, 131392, 2024 | 1 | 2024 |
Quantum Chemistry in a Pocket: A Multifaceted Tool to Link Structure and Activity F Menezes, GM Popowicz, T Froehlich, V Napolitano, S Rioton, ... bioRxiv, 2024.04. 22.590615, 2024 | 1 | 2024 |
A Buckycatcher in Solution—A Computational Perspective F Menezes, GM Popowicz Molecules 28 (6), 2841, 2023 | 1 | 2023 |
Exploring Novel GSK-3β Inhibitors for Anti-Neuroinflammatory and Neuroprotective Effects: Synthesis, Crystallography, Computational Analysis, and Biological Evaluation I Góral, T Wichur, E Sługocka, P Grygier, M Głuch-Lutwin, B Mordyl, ... ACS Chemical Neuroscience, 2024 | | 2024 |
Corrigendum to" SARS-CoV-2 Mpro oligomerization as a potential target for therapy"[Int. J. Biol. Macromol. 267 (Part 1)(May 2024) 131392] K Lis, J Plewka, F Menezes, E Bielecka, Y Chykunova, K Pustelny, ... International journal of biological macromolecules 276 (Pt 1), 133473, 2024 | | 2024 |
Moderne Medikamentenentwicklung durch den Einbezug künstlicher Intelligenz T Seibt, F Menezes, R Kurzrock, G Popowicz, A Wahida InFo Hämatologie+ Onkologie 27 (5), 22-25, 2024 | | 2024 |
Correction: Miranda et al. Anion Binding by Fluorescent Ureido-Hexahomotrioxacalix [3] arene Receptors: An NMR, Absorption and Emission Spectroscopic Study. Molecules 2022, 27 … AS Miranda, PM Marcos, JR Ascenso, MN Berberan-Santos, F Menezes Molecules 29 (8), 1892, 2024 | | 2024 |