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  • 1. Insegnare la molecular dynamics come pratica interpretativa in un contesto di Team-Based Learning (100%)

    21-giu-2026 11.55.47

    Insegnare la molecular dynamics come pratica interpretativa in un contesto di Team-Based Learning articolo, notizia, unipa, TBL, didattica chimica, molecular dynamics È stato pubblicato su Chimica nella Scuola il mio contributo “Insegnare la molecular dynamics come pratica interpretativa in un contesto di Team-Based Learning”. Negli ultimi anni la molecular dynamics è entrata sempre più spesso nei corsi di chimica e scienze della vita. Tuttavia, la vera sfida per gli studenti non è eseguire

  • 2. Curriculum_Cottone (60%)

    23-nov-2018 12.26.37

    , with Non Equilibrium Molecular Dynamics” , Settembre 2010-Settembre 2011 -Progetto di Supercalcolo ... in Europe, tier-1, presso Poznan Supercomputing and Networking Center (PSNC), “Molecular dynamics ... scientifico, workpackage “Biophysics: Molecular Dynamics study of the allosteric transition ... di Supercalcolo CINECA/INFM 2005 n 432 "Molecular Dynamics simulations ... energy landscape of RNase A protein by Temperature-Accelerated Molecular Dynamics and Multiple Replica

  • 3. Pubblicato sul Journal of Chemical Education un nuovo lavoro su Team-Based Learning, intelligenza artificiale e molecular dynamics (36%)

    7-set-2026 17.53.33

    Pubblicato sul Journal of Chemical Education un nuovo lavoro su Team-Based Learning, intelligenza artificiale e molecular dynamics articolo, notizia, unipa, TBL, team based learning, chimica, didattica, chemistry education, journal of chemical education, AI, intelligenza artificiale È disponibile online in open access sul sito dell’editore un mio nuovo articolo A Team-Based Learning Activity with AI-Supported Reasoning for Teaching Molecular Dynamics, pubblicato sul Journal of Chemical

  • 4. stefanomoro_cv_2017_it_siglato (21%)

    7-nov-2017 14.22.33

    of Novel Fragment-Based Positive Allosteric Modulators Using a Supervised Molecular Dynamics Approach ... Using a Supervised Molecular Dynamics Approach." Structure 25, 655-662 (2017) 243. Zusso ... ;Deciphering the Complexity of Ligand-protein Recognition Pathways using Supervised Molecular Dynamics (SuMD ... receptor of the endogenous agonist adenosine using supervised molecular dynamics simulations." ... Supervised Molecular Dynamics: a prototype study analysing the human A3 adenosine receptor positive

  • 5. c.v. costantino (21%)

    7-nov-2017 14.22.33

     Design and synthesis of modulators of transcription factors  Molecular dynamics simulations ... A, Macchiarulo A, Gioiello A, Pellicciari R. Molecular Dynamics Simulation of the Ligand Binding Domain ... ;13(2):247-58 92. Molecular Dynamics Simulation of the Heterodimeric mGluR2/5HT(2A) Complex ... , Costantino G. Molecular dynamics simulations and docking studies on 3D models of the heterodimeric ... by steered molecular dynamics. J. Chem.Inf. Model. 2014 10.1021/ci500527j 111. Moriconi A, Cunha

  • 6. abstract-book180529 (18%)

    20-giu-2018 10.30.06

  • 7. POSIZIONE POST-DOC presso POLITO sul progetto europeo NanoInformaTIX (17%)

    7-ott-2019 11.05.44

    -grained molecular dynamics (CGMD) simulations by validated coarse-grained force fields; - identifying ... in high-level programming language (e.g. Matlab, Python). Previous experience with molecular dynamics ... forces (PMFs) is required, in order to properly parametrize models for coarse-grained molecular dynamics (GCMD). Good understanding of condensed matter physics and previous experience with high

  • 8. Postdoc-NanoInformaTIX_v01 (17%)

    7-ott-2019 11.04.42

    ; - performing coarse-grained molecular dynamics (CGMD) simulations by validated coarse-grained ... experience with molecular dynamics (MD) technique and software is required, and a proved experience ... models for coarse-grained molecular dynamics (GCMD). Good understanding of condensed matter physics and

  • 9. Postdoc-NanoInformaTIX_v01 (17%)

    7-ott-2019 11.04.42

    ; - performing coarse-grained molecular dynamics (CGMD) simulations by validated coarse-grained ... experience with molecular dynamics (MD) technique and software is required, and a proved experience ... models for coarse-grained molecular dynamics (GCMD). Good understanding of condensed matter physics and

  • 10. POSIZIONE POST-DOC presso POLITO sul progetto europeo NanoInformaTIX (17%)

    7-ott-2019 11.05.44

    -grained molecular dynamics (CGMD) simulations by validated coarse-grained force fields; - identifying ... in high-level programming language (e.g. Matlab, Python). Previous experience with molecular dynamics ... forces (PMFs) is required, in order to properly parametrize models for coarse-grained molecular dynamics (GCMD). Good understanding of condensed matter physics and previous experience with high

  • 11. Attività formative (16%)

    31-lug-2026 9.50.44

    , molecular dynamics, free energy calculations, and reverse modeling represent efficient tools ... repurposing. From this perspective, computational approaches, such as Docking, molecular dynamics ... or drug repurposing. From this perspective, computational approaches, such as Docking, molecular dynamics, free energy calculations, and reverse modeling represent efficient tools for obtaining

  • 12. Educational activities (16%)

    29-lug-2026 14.23.42

    as Docking, molecular dynamics, free energy calculations, and reverse modeling represent efficient ... . From this perspective, computational approaches, such as Docking, molecular dynamics, free energy calculations ... . From this perspective, computational approaches, such as Docking, molecular dynamics, free energy

  • 13. Elezioni Presidente Scuola Specializzazione Farmacia Ospedaliera-2018-CVLauria (15%)

    23-feb-2018 12.52.14

    , “Molecular dynamics studies on HIV-1 protease: a comparison of the flap motions between wild type ... , M. Tutone, L. Pantano, A. Lauria, Molecular dynamics studies on Mdm2 complexes: An analysis ... ., 2014, 75, 106-110. 39) M. Tutone, L. Pantano, A. Lauria, A. M. Almerico, Molecular dynamics, dynamic

  • 14. Opportunità di Lavoro (15%)

    8-lug-2022 8.13.22

    programming language (e.g. Matlab, Python). Previous experience with molecular dynamics (MD) technique ... ) is required, in order to properly parametrize models for coarse-grained molecular dynamics (GCMD ... , adhesion limits, between nanoparticles and organic matter; - performing coarse-grained molecular dynamics (CGMD) simulations by validated coarse-grained force fields; - identifying the overall

  • 15. Pubblicazioni STEBICEF anno 2017 - quartile q1, q2, q3, q4 (class. WOS) (12%)

    3-ott-2019 10.47.00

    Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations 2017 Journal

  • 16. Relazione AQ Dipartimento BiND (12%)

    11-ott-2023 9.29.14

  • 17. Relazione AQ Dipartimento BiND su settori critici - 31 luglio 2023 (12%)

    30-nov-2023 13.03.10

  • 18. Verbale riunione telematica 31 luglio 2023 - relazione delibera CdA 04.01 del 19 maggio 2023 (12%)

    30-nov-2023 13.03.11

  • 19. Lista Pubblicazioni dei componenti del Dipartimento - anno 2013 (12%)

    23-lug-2013 17.36.37

    ). Metal Complex–DNA Binding: Insights from Molecular Dynamics and DFT/MM Calculations. Journal ... )), 3102-3105. - I.F.:3,842 - Scopus SJR:0,205 - SNIP:0,673 Giovanna Longhi, A.C. (2013). Molecular dynamics of electrosprayed water nanodroplets containing sodium bis(2-ethylhexyl)sulfosuccinate

  • 20. CV 2016 GP Barone (12%)

    15-dic-2016 15.31.55

    through Aquaglyceroporin-3 induced by mercury(II): a molecular dynamics study, J. Inorg. Biochem ... (2013) 32. A. Spinello, A. Terenzi, G. Barone: Metal Complex-DNA Binding: Insights from Molecular Dynamics and DFT/MM Calculations, J. Inorg. Biochem. 124, 63-69 (2013) 33. J. Grunenberg, G. Barone