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For å registrere i Cristin må du være vitenskapelig eller administrativt ansatt.
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2023
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| 1. | Bjørnestad, Victoria Ariel; Li, Xinmeng; Tribet, Christophe; Lund, Reidar; Cascella, Michele. Micelle kinetics of photoswitchable surfactants: Self-assembly pathways and relaxation mechanisms. Journal of Colloid and Interface Science 2023 ;Volum 646. s. 883-899 UiO |
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| 2. | Carrer, Manuel. From all-atom to mesoscale : bridging the gap with differentiable molecular dynamic. Oslo: University of Oslo, Faculty of Mathematics and Natural Sciences, Department of Chemistry 2023 ;Volum 2023.Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2649) UiO |
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| 3. | Carrer, Manuel; Nielsen, Josefine Eilsø; Musseli Cezar, Henrique; Lund, Reidar; Cascella, Michele; Soares da Silva, Thereza Amelia. Accelerating Lipid Flip-Flop at Low Concentrations: A General Mechanism for Membrane Binding Peptides. The Journal of Physical Chemistry Letters 2023 ;Volum 14.(31) s. 7014-7019 UiO |
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| 4. | Cascella, Michele. Multiscale approaches for bio/soft matter: investigating self-assembly and dynamics of lipid and surfactants. TheoBio2023; 2023-07-16 - 2023-07-20 UiO |
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| 5. | Castro, Abril C; Cascella, Michele; Perutz, Robin N.; Raynaud, Christophe; Eisenstein, Odile. Solid-State 19F NMR Chemical Shift in Square-Planar Nickel-Fluoride Complexes Linked by Halogen Bonds. Inorganic Chemistry 2023 ;Volum 62.(12) s. 4835-4846 UiO |
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| 6. | de Giovanetti, Marinella; Eliasson, Sondre Hilmar Hopen; Castro, Abril C; Eisenstein, Odile; Cascella, Michele. Morphological Plasticity of LiCl Clusters Interacting with Grignard Reagent in Tetrahydrofuran. Journal of the American Chemical Society 2023 ;Volum 145.(30) s. 16305-16309 UiO |
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| 7. | Eliasson, Sondre Hilmar Hopen; de Giovanetti, Marinella; Bore, Sigbjørn Løland; Bortoli, Marco; Cascella, Michele. Machine Learned Potential for Organolithium Compounds in THF.. European Conference on Computational and Theoretical Chemistry; 2023-08-27 - 2023-08-31 UiO |
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| 8. | Eliasson, Sondre Hilmar Hopen; de Giovanetti, Marinella; Bore, Sigbjørn Løland; Bortoli, Marco; Cascella, Michele; Eisenstein, Odile. Machine Learned Potential for Organolithium in THF. TRAINS Conference; 2023-11-27 - 2023-11-30 UiO |
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| 9. | Ledum, Morten; Carrer, Manuel; Sen, Samiran; Li, Xinmeng; Cascella, Michele; Bore, Sigbjørn Løland. HylleraasMD: Massively parallel hybrid particle-field molecular dynamics in Python. Journal of Open Source Software (JOSS) 2023 ;Volum 8.(84) UiO |
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| 10. | Ledum, Morten; Sen, Samiran; Bore, Sigbjørn Løland; Cascella, Michele. On the equivalence of the hybrid particle-field and Gaussian core models. Journal of Chemical Physics 2023 ;Volum 158.(19) s. - UiO |
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| 11. | Ledum, Morten; Sen, Samiran; Li, Xinmeng; Carrer, Manuel; Feng, Yu; Cascella, Michele; Bore, Sigbjørn Løland. HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multiscale Simulations of Soft Matter. Journal of Chemical Theory and Computation 2023 s. - UiO |
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| 12. | Mors, Mira. Molecular Modeling of Nucleosome Core Particles. Oslo: Kjemisk Institutt, Universitetet i Oslo 2023 UiO |
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| 13. | Musseli Cezar, Henrique; Cascella, Michele. SANS Spectra with PLUMED: Implementation and Application to Metainference. Journal of Chemical Information and Modeling 2023 ;Volum 63.(16) s. 4979-4985 UiO |
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| 14. | Segura Pena, Dario; Hovet, Oda; Gogoi, Hemanga; Dawicki-Mckenna, Jennine; Wøien, Stine Malene Hansen; Carrer, Manuel; Black, Ben E.; Cascella, Michele; Sekulic, Nikolina. The structural basis of the multi-step allosteric activation of Aurora B kinase. eLIFE 2023 ;Volum 12. s. - UiO |
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| 15. | Sen, Samiran. Advances in Hamiltonian Hybrid Particle–Field Theory: Improving the description of interfacial systems. Oslo: University of Oslo, Faculty of Mathematics and Natural Sciences, Department of Chemistry 2023 ;Volum 2023.Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2618) UiO |
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| 16. | Sen, Samiran; Ledum, Morten; Bore, Sigbjørn Løland; Cascella, Michele. Soft Matter under Pressure: Pushing Particle-Field Molecular Dynamics to the Isobaric Ensemble. Journal of Chemical Information and Modeling 2023 ;Volum 63. s. 2207-2217 UiO |
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| 17. | Thorbjørnsrud, Helen Vikdal; Bressan, Lucas; Khatanbaatar, Tamjidmaa; Carrer, Manuel; Würth-Roderer, Kathrin; Cordara, Gabriele; Kast, Peter; Cascella, Michele; Krengel, Ute. What Drives Chorismate Mutase to Top Performance? Insights from a Combined In Silico and In Vitro Study. Biochemistry 2023 ;Volum 62.(3) s. 782-796 UiO |
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2022
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| 18. | Cascella, Michele. The Grignard reaction - solving a century old problem by molecular simulations. Department seminar series; 2022-09-26 - 2022-09-26 UiO |
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| 19. | Cascella, Michele; Soares da Silva, Thereza Amelia. Bias Amplification in Gender, Gender Identity, and Geographical Affiliation. Journal of Geophysical Research (JGR): Solid Earth 2022 s. - UiO |
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| 20. | Ledum, Morten. Hamiltonian hybrid particle-field method for biological soft matter: Efficient simulation and machine learning approaches. Oslo: Department of Chemistry, Faculty of Mathematics and Natural Sciences, University of Oslo 2022 ;Volum 2022.Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2516) UiO |
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| 21. | Segura-Pena, Dario; Hovet, Oda; Dawicki-McKenna, Jennine; Wøien, Stine Malene Hansen; Black, Ben E.; Cascella, Michele; Sekulic, Nikolina. HDX and MD as tools to elucidate Aurora B kinase activation mechanism. 3 rd International Conference on Hydrogen Deuterium Exchange Mass Spectrometry; 2022-04-24 - 2022-04-26 UiO |
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| 22. | Segura-Pena, Dario; Hovet, Oda; Dawicki-McKenna, Jennine; Wøien, Stine Malene Hansen; Black, Ben E.; Cascella, Michele; Sekulic, Nikolina. Phosphorylation structurally organizes the [Aurora B/IN-box] complex and introduces a synchronised internal motion of the enzyme resulting in activation. American Society for Cell Biology; 2022-12-01 - 2022-12-10 UiO |
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| 23. | Segura-Pena, Dario; Hovet, Oda; Dawicki-McKenna, Jennine; Wøien, Stine Malene Hansen; Black, Ben E.; Cascella, Michele; Sekulic, Nikolina. The structural basis of the multi-step allosteric activation of Aurora B kinase. EMBO workshop: Dynamic kinetochore; 2022-06-28 - 2022-07-01 UiO |
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| 24. | Segura-Pena, Dario; Hovet, Oda; Dawicki-McKenna, Jennine; Wøien, Stine Malene Hansen; Black, Ben E.; Cascella, Michele; Sekulic, Nikolina. The structural basis of the multi-step allosteric activation of Aurora B kinase. Oslo epigentics symposium; 2022-09-07 - 2022-09-09 UiO |
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| 25. | Segura-Pena, Dario; Hovet, Oda; Dawicki-McKenna, Jennine; Wøien, Stine Malene Hansen; Black, Ben E.; Cascella, Michele; Sekulic, Nikolina. The structural basis of the multi-step allosteric activation of Aurora B kinase. Mini-symposium: Molecular structures in action; 2022-03-25 UiO |
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| 26. | Sekulic, Nikolina; Hovet, Oda; Gogoi, Hemanga; Dawicki-McKenna, Jennine; Wøien, Stine Malene Hansen; Carrer, Manuel; Black, Ben E.; Cascella, Michele. The structural basis of the multi-step allosteric activation of Aurora B kinase. bioRxiv 2022 UiO |
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| 27. | Sekulic, Nikolina; Segura-Pena, Dario; Hovet, Oda; Dawicki-McKenna, Jennine; Wøien, Stine Malene Hansen; Black, Ben E.; Cascella, Michele. Aurora B activation requires synchronized internal motion initiated by IN-box phosphorylation. Contact meeting - Norwegian Biochemical Society; 2022-02-10 - 2022-02-12 UiO |
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| 28. | Steinnes, Lasse. Electrostatics in Mesoscale Simulations of Biological Membranes using the Hybrid-Particle Field Approach. Universitetet i Oslo 2022 151 s. UiO |
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| 29. | Thorbjørnsrud, Helen Vikdal; Bressan, Luca; Khatanbaatar, Tamjidmaa; Carrer, Manuel; Würth-Roderer, Kathrin; Cordara, Gabriele; Kast, Peter; Cascella, Michele; Krengel, Ute. What drives chorismate mutase to top performance? Insights from a combined in silico and in vitro study. bioRxiv 2022 UiO |
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2021
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| 30. | Aeschimann, Walter; Kammer, Stephan; Staats, Stefanie; Schneider, Petra; Schneider, Gisbert; Rimbach, Gerald; Cascella, Michele; Stocker, Achim. Engineering of a functional γ-tocopherol transfer protein. Redox Biology 2021 ;Volum 38. UiO |
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| 31. | Eisenstein, Odile; Cascella, Michele. Grignard reagent and Grignard reaction: Computational approach of a chemical puzzle. Pacifichem symposium Synergies between Theory, Experiment and Data Science towards Clean Energy; 2021-12-17 - 2021-12-19 UiO |
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| 32. | Eisenstein, Odile; Cascella, Michele; Pradier, Claire-Marie. La reaction de Grignard, une enigme de 120 ans chapter in Etonnante Chimie Decouvertes et promesses du XXIeme siècle. Paris: CNRS Editions 2021 (ISBN 978-2-271-13652-7) 340 s. UiO |
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| 33. | Kirsch, Till; Olsen, Jógvan Magnus Haugaard; Bolnykh, Viacheslav; Meloni, Simone; Ippoliti, Emiliano; Rothlisberger, Ursula; Cascella, Michele; Gauss, Jürgen. Wavefunction-Based Electrostatic-Embedding QM/MM Using CFOUR through MiMiC. Journal of Chemical Theory and Computation 2021 s. - UiO |
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| 34. | Lund, Reidar; Cascella, Michele. Aggregation kinetics and photodynamics of photocontrollable surfactant AzoTMA: a molecular dynamics study. 35th CONFERENCE OF THE EUROPEAN COLLOID & INTERFACE SOCIETY; 2021-01-05 - 2021-01-10 UiO |
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2020
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| 35. | Bore, Sigbjørn Løland; Cascella, Michele. Hamiltonian and alias-free hybrid particle-field molecular dynamics. Journal of Chemical Physics 2020 ;Volum 153.(9) UiO |
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| 36. | Bore, Sigbjørn Løland. Advances in the Hybrid Particle-Field Approach: Towards Biological Systems. Oslo: Matematisk Naturvitenskapelig fakultet, Universitetet i Oslo 2020 ;Volum 2020.131 s. Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2245) UiO |
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| 37. | Bore, Sigbjørn Løland; Kolli, Hima Bindu; De Nicola, Antonio; Byshkin, Maksym; Kawakatsu, Toshihiro; Milano, Giuseppe; Cascella, Michele. Hybrid Particle-Field Molecular Dynamics Under Constant Pressure. Journal of Chemical Physics 2020 ;Volum 152.(18) s. - UiO |
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| 38. | Carrer, Manuel; Skrbic, Tatjana; Bore, Sigbjørn Løland; Milano, Giuseppe; Cascella, Michele; Giacometti, Achille. Can Polarity-Inverted Surfactants Self-Assemble in Nonpolar Solvents?. Journal of Physical Chemistry B 2020 ;Volum 124. s. 6448-6458 UiO |
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| 39. | Cascella, Michele. Recent advances in hybrid particle field: toward biological systems. Multiscale simulations of soft matter: New method developments and mathematical foundations; 2020-09-30 - 2020-10-02 UiO |
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| 40. | Castro, Abril C; Balcells, David; Repisky, Michal; Helgaker, Trygve; Cascella, Michele. First-principles calculation of 1H NMR chemical shifts of complex metal polyhydrides: The essential inclusion of relativity and dynamics. Inorganic Chemistry 2020 ;Volum 59.(23) s. 17509-17518 UiO UiT |
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| 41. | De Nicola, Antonio; Soares, Thereza; Santos, Denys ES; Bore, Sigbjørn Løland; Sevink, G J Agur; Cascella, Michele; Milano, Giuseppe. Aggregation of Lipid A Variants: A Hybrid Particle-Field Model. Biochimica et Biophysica Acta - General Subjects 2020 ;Volum 1865. UiO |
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| 42. | Franco-Ulloa, Sebastian; Tatulli, Giuseppina; Bore, Sigbjørn Løland; Moglianetti, Mauro; Pompa, Pier Paolo; Cascella, Michele; De Vivo, Marco. Dispersion state phase diagram of citrate-coated metallic nanoparticles in saline solutions. Nature Communications 2020 ;Volum 11. UiO |
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| 43. | Ledum, Morten; Bore, Sigbjørn Løland; Cascella, Michele. Automated determination of hybrid particle-field parameters by machine learning. Molecular Physics 2020 ;Volum 118.(19-20) s. 1-12 UiO |
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| 44. | Peltzer, Raphael Mathias; Gauss, Jürgen; Eisenstein, Odile; Cascella, Michele. The Grignard Reaction − Unraveling a Chemical Puzzle. Journal of the American Chemical Society 2020 ;Volum 142.(6) s. 2984-2994 UiO |
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| 45. | Schäfer, Ken; Kolli, Hima Bindu; Christensen, Mikkel Killingmoe; Bore, Sigbjørn Løland; Diezemann, Gregor; Gauss, Jürgen; Milano, Giuseppe; Lund, Reidar; Cascella, Michele. Supramolecular Packing Drives Morphological Transitions of Charged Surfactant Micelles. Angewandte Chemie International Edition 2020 ;Volum 59.(42) s. 18591-18598 UiO |
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| 46. | ; Hovet, Oda. Molecular Dynamics Studies on the Essential Mitotic Protein Kinase – Aurora B. https://www.duo.uio.no/handle/10852/79628: Reprosentralen, University of Oslo 2020 77 s. UiO |
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2019
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| 47. | Bore, Sigbjørn Løland; Kolli, Hima Bindu; Kawakatsu, Toshihiro; Milano, Giuseppe; Cascella, Michele. Mesoscale Electrostatics Driving Particle Dynamics in Nonhomogeneous Dielectrics. Journal of Chemical Theory and Computation 2019 ;Volum 15.(3) s. 2033-2041 UiO |
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| 48. | Cascella, Michele. Multiscale simulations of bio/soft-matter using particles and fields. Invited lecture; 2019-05-10 - 2019-05-10 UiO |
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| 49. | Cascella, Michele. Simulating biological soft systems coupling particles and fields with molecular dynamics. 9th Visegrad symposium on structural systems biology; 2019-06-18 - 2019-06-21 UiO |
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| 50. | Cascella, Michele. Simulating Biological Systems Coupling Particles and Fields with Molecular Dynamics. Molecular Dynamics Today; 2019-03-14 - 2019-03-15 UiO |
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