| The chemistry of neurodegeneration: kinetic data and their implications M Pavlin, M Repič, R Vianello, J Mavri Molecular neurobiology 53, 3400-3415, 2016 | 81 | 2016 |
| A computational assay of estrogen receptor α antagonists reveals the key common structural traits of drugs effectively fighting refractory breast cancers M Pavlin, A Spinello, M Pennati, N Zaffaroni, S Gobbi, A Bisi, G Colombo, ... Scientific reports 8 (1), 649, 2018 | 69 | 2018 |
| Copper trafficking in eukaryotic systems: current knowledge from experimental and computational efforts A Magistrato, M Pavlin, Z Qasem, S Ruthstein Current Opinion in Structural Biology 58, 26-33, 2019 | 42 | 2019 |
| Rational design of allosteric modulators of the aromatase enzyme: An unprecedented therapeutic strategy to fight breast cancer A Spinello, S Martini, F Berti, M Pennati, M Pavlin, J Sgrignani, G Grazioso, ... European journal of medicinal chemistry 168, 253-262, 2019 | 42 | 2019 |
| Carnosine and Homocarnosine Degradation Mechanisms by the Human Carnosinase Enzyme CN1: Insights from Multiscale Simulations M Pavlin, G Rossetti, M De Vivo, P Carloni Biochemistry 55 (19), 2772-2784, 2016 | 33 | 2016 |
| A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme? A Spinello, M Pavlin, L Casalino, A Magistrato Chemistry–A European Journal 24 (42), 10840-10849, 2018 | 30 | 2018 |
| Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitor M Pavlin, J Mavri, M Repič, R Vianello Journal of Neural Transmission 120, 875-882, 2013 | 21 | 2013 |
| Balanced dual acting compounds targeting aromatase and estrogen receptor α as an emerging therapeutic opportunity to counteract estrogen responsive breast cancer J Caciolla, S Martini, A Spinello, M Pavlin, E Turrini, F Simonelli, F Belluti, ... European Journal of Medicinal Chemistry 224, 113733, 2021 | 17 | 2021 |
| Unraveling the Impact of Cysteine-to-Serine Mutations on the Structural and Functional Properties of Cu (I)-Binding Proteins M Pavlin, Z Qasem, H Sameach, L Gevorkyan-Airapetov, I Ritacco, ... International Journal of Molecular Sciences 20 (14), 3462, 2019 | 16 | 2019 |
| The pivotal role of MBD4–ATP7B in the human Cu (i) excretion path as revealed by EPR experiments and all-atom simulations Z Qasem, M Pavlin, I Ritacco, L Gevorkyan-Airapetov, A Magistrato, ... Metallomics 11 (7), 1288-1297, 2019 | 14 | 2019 |
| Cu (I) Controls Conformational States in Human Atox1 Metallochaperone: An EPR and Multiscale Simulation Study O Perkal, Z Qasem, M Turgeman, R Schwartz, L Gevorkyan-Airapetov, ... The Journal of Physical Chemistry B 124 (22), 4399-4411, 2020 | 12 | 2020 |
| Computing metal‐binding proteins for therapeutic benefit A Spinello, J Borišek, M Pavlin, P Janoš, A Magistrato ChemMedChem 16 (13), 2034-2049, 2021 | 10 | 2021 |
| Structural, Thermodynamic, and kinetic traits of antiestrogen-compounds selectively targeting the Y537S mutant estrogen receptor α transcriptional activity in breast cancer … M Pavlin, L Gelsomino, I Barone, A Spinello, S Catalano, S Andò, ... Frontiers in chemistry, 602, 2019 | 7 | 2019 |
| Stability and reactivity of progressively methylolated melamine derivatives J Zidar, M Pavlin, I Mihelič, P Ogorelec, J Plavec, J Mavri Computational and Theoretical Chemistry 1006, 85-91, 2013 | 6 | 2013 |
| A Rapid Prototyped Thermal Mass Flowmeter B Pečar, D Vrtačnik, M Pavlin, M Možek Sensors 16 (21), 5373, 2021 | 3 | 2021 |
| Unveiling the interdomain dynamics of type II DNA topoisomerase through all-atom simulations: Implications for understanding its catalytic cycle M Pavlin, B Herlah, K Valjavec, A Perdih Computational and Structural Biotechnology Journal 21, 3746-3759, 2023 | 2 | 2023 |
| Disrupting Cu Trafficking as a potential therapy for cancer Z Qasem, M Pavlin, I Ritacco, MY Avivi, S Meron, Y Shenberger, ... Frontiers in Molecular Biosciences, 1140, 2022 | 1 | 2022 |
| Molecular choreography: Unveiling the dynamic landscape of type IIA DNA topoisomerases before T-segment passage through all-atom simulations B Herlah, M Pavlin, A Perdih International journal of biological macromolecules 269, 131991, 2024 | | 2024 |
| Ammonia As a Liquid Hydrogen Carrier: Ab Initio Multiscale Catalytic Synthesis/Cracking Reaction Modelling BŠLikozar, A Pavlisic, M Pavlin, T Žibert, A Zamljen, M HuŠ2024 Spring Meeting & 20th Global Congress on Process Safety, 2024 | | 2024 |
| Investigating functional aspects and inhibition of the human carnosinase CN1 enzyme by computational methods M Pavlin, M Spehr, P Carloni Fachgruppe Physik, 2017 | | 2017 |
