PAVAN, GIOVANNI MARIA
PAVAN, GIOVANNI MARIA
Dipartimento Scienza Applicata e Tecnologia
G M Pavan; G*M Pavan; Giovanni Maria Pavan; Giovanni M. Pavan
058399
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation
2023 Menke, A. J.; Gloor, C. J.; Claton, L. E.; Mekhail, M. A.; Pan, H.; Stewart, M. D.; Green, K. N.; Reibenspies, J. H.; Pavan, G. M.; Capelli, R.; Simanek, E. E.
Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG
2023 Empereur-mot, Charly; Pedersen, Kasper B.; Capelli, Riccardo; Crippa, Martina; Caruso, Cristina; Perrone, Mattia; Souza, Paulo C. T.; Marrink, Siewert J.; Pavan, Giovanni M.
Detecting dynamic domains and local fluctuations in complex molecular systems via timelapse neighbors shuffling
2023 Crippa, Martina; Cardellini, Annalisa; Caruso, Cristina; Pavan, Giovanni M.
Emergence of Photomodulated Protometabolism by Short Peptide-Based Assemblies
2023 Reja, Antara; Pal, Sumit; Mahato, Kishalay; Saha, Baishakhi; DELLE PIANE, Massimo; Pavan, Giovanni M.; Das, Dibyendu
Innate dynamics and identity crisis of a metal surface unveiled by machine learning of atomic environments
2023 Cioni, Matteo; Polino, Daniela; Rapetti, Daniele; Pesce, Luca; DELLE PIANE, Massimo; Pavan, Giovanni M.
Into the dynamics of rotaxanes at atomistic resolution
2023 Leanza, Luigi; Perego, Claudio; Pesce, Luca; Salvalaglio, Matteo; von Delius, Max; Pavan, Giovanni M.
Machine learning of atomic dynamics and statistical surface identities in gold nanoparticles
2023 Rapetti, Daniele; DELLE PIANE, Massimo; Cioni, Matteo; Polino, Daniela; Ferrando, Riccardo; Pavan, Giovanni M.
Subtle Stereochemical Effects Influence Binding and Purification Abilities of an FeII4L4 Cage
2023 Xue, Weichao; Pesce, Luca; Bellamkonda, Adinarayana; Ronson, Tanya K.; Wu, Kai; Zhang, Dawei; Vanthuyne, Nicolas; Brotin, Thierry; Martinez, Alexandre; Pavan, Giovanni M.; Nitschke, Jonathan R.
Supramolecular Semiconductivity through Emerging Ionic Gates in Ion–Nanoparticle Superlattices
2023 Lionello, Chiara; Perego, Claudio; Gardin, Andrea; Klajn, Rafal; Pavan, Giovanni M.
Synthesis of C60/[10]CPP‐Catenanes by Regioselective, Nanocapsule‐Templated Bingel Bis‐Addition
2023 Steudel, Fabian M.; Ubasart, Ernest; Leanza, Luigi; Pujals, Míriam; Parella, Teodor; Pavan, Giovanni M.; Ribas, Xavi; von Delius, Max
Systematic exploration of accessible topologies of cage molecules via minimalistic models
2023 Tarzia, Andrew; Wolpert, Emma H.; Jelfs, Kim E.; Pavan, Giovanni M.
TimeSOAP: Tracking high-dimensional fluctuations in complex molecular systems via time variations of SOAP spectra
2023 Caruso, Cristina; Cardellini, Annalisa; Crippa, Martina; Rapetti, Daniele; Pavan, Giovanni M.
Unsupervised Data-Driven Reconstruction of Molecular Motifs in Simple to Complex Dynamic Micelles
2023 Cardellini, Annalisa; Crippa, Martina; Lionello, Chiara; Afrose, Syed Pavel; Das, Dibyendu; Pavan, Giovanni M
Automatic multi-objective optimization of coarse-grained lipid force fields using SwarmCG
2022 Empereur-mot, Charly; Capelli, Riccardo; Perrone, Mattia; Caruso, Cristina; Doni, Giovanni; Pavan, Giovanni M.
Classifying soft self-assembled materials via unsupervised machine learning of defects
2022 Gardin, Andrea; Perego, Claudio; Doni, Giovanni; Pavan, Giovanni M.
Controlling the length of porphyrin supramolecular polymers via coupled equilibria and dilution-induced supramolecular polymerization
2022 Weyandt, Elisabeth; Leanza, Luigi; Capelli, Riccardo; Pavan, Giovanni M.; Vantomme, Ghislaine; Meijer, E. W.
Density-tunable pathway complexity in a minimalistic self-assembly model
2022 Becchi, Matteo; Capelli, Riccardo; Perego, Claudio; Pavan, Giovanni M.; Micheletti, Cristian
Ephemeral ice-like local environments in classical rigid models of liquid water
2022 Capelli, R.; Muniz-Miranda, F.; Pavan, G. M.
Molecular communications in complex systems of dynamic supramolecular polymers
2022 Crippa, M.; Perego, C.; de Marco, A. L.; Pavan, G. M.
Porous covalent organic nanotubes and their assembly in loops and toroids
2022 Koner, Kalipada; Karak, Shayan; Kandambeth, Sharath; Karak, Suvendu; Thomas, Neethu; Leanza, Luigi; Perego, Claudio; Pesce, Luca; Capelli, Riccardo; Moun, Monika; Bhakar, Monika; Ajithkumar, Thalasseril G.; Pavan, Giovanni M.; Banerjee, Rahul
Citazione | Data di pubblicazione | Autori | File |
---|---|---|---|
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation / Menke, A. J.; Gloor, C. J.; Claton, L. E.; Mekhail, M. A.; Pan, H.; Stewart, M. D.; Green, K. N.; Reibenspies, J. H.; Pavan, G. M.; Capelli, R.; Simanek, E. E.. - In: JOURNAL OF ORGANIC CHEMISTRY. - ISSN 0022-3263. - 88:5(2023), pp. 2692-2702. [10.1021/acs.joc.2c01984] | 1-gen-2023 | Pavan G. M.Capelli R. + | Menke et al GIVT to JOC.pdf; acs.joc.2c01984.pdf |
Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG / Empereur-mot, Charly; Pedersen, Kasper B.; Capelli, Riccardo; Crippa, Martina; Caruso, Cristina; Perrone, Mattia; Souza, Paulo C. T.; Marrink, Siewert J.; Pavan, Giovanni M.. - In: JOURNAL OF CHEMICAL INFORMATION AND MODELING. - ISSN 1549-9596. - 63:12(2023), pp. 3827-3838. [10.1021/acs.jcim.3c00530] | 1-gen-2023 | Riccardo CapelliMartina CrippaCristina CarusoMattia PerroneGiovanni M. Pavan + | acs.jcim.3c00530_compressed.pdf |
Detecting dynamic domains and local fluctuations in complex molecular systems via timelapse neighbors shuffling / Crippa, Martina; Cardellini, Annalisa; Caruso, Cristina; Pavan, Giovanni M.. - In: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. - ISSN 0027-8424. - 120:30(2023). [10.1073/pnas.2300565120] | 1-gen-2023 | Martina CrippaCristina CarusoGiovanni M. Pavan + | 2212.12694_compressed.pdf; postprint_all_compressed.pdf; pnas.2300565120_compressed.pdf |
Emergence of Photomodulated Protometabolism by Short Peptide-Based Assemblies / Reja, Antara; Pal, Sumit; Mahato, Kishalay; Saha, Baishakhi; DELLE PIANE, Massimo; Pavan, Giovanni M.; Das, Dibyendu. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - 145:38(2023), pp. 21114-21121. [10.1021/jacs.3c08158] | 1-gen-2023 | Massimo Delle PianeGiovanni M. Pavan + | Revised_Manuscript_final.pdf; reja-et-al-2023-emergence-of-photomodulated-protometabolism-by-short-peptide-based-assemblies.pdf |
Innate dynamics and identity crisis of a metal surface unveiled by machine learning of atomic environments / Cioni, Matteo; Polino, Daniela; Rapetti, Daniele; Pesce, Luca; DELLE PIANE, Massimo; Pavan, Giovanni M.. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 158:12(2023), pp. 1-16. [10.1063/5.0139010] | 1-gen-2023 | Matteo CioniDaniele RapettiMassimo Delle PianeGiovanni M. Pavan + | JCP22-AR-MLMS2022-04200.pdf; 5.0139010_compressed.pdf |
Into the dynamics of rotaxanes at atomistic resolution / Leanza, Luigi; Perego, Claudio; Pesce, Luca; Salvalaglio, Matteo; von Delius, Max; Pavan, Giovanni M.. - In: CHEMICAL SCIENCE. - ISSN 2041-6520. - 14:24(2023), pp. 6716-6729. [10.1039/D3SC01593A] | 1-gen-2023 | Luigi LeanzaGiovanni M. Pavan + | d3sc01593a.pdf; Into_the_dynamics_of_rotaxanes_Paper+SI_compressed.pdf |
Machine learning of atomic dynamics and statistical surface identities in gold nanoparticles / Rapetti, Daniele; DELLE PIANE, Massimo; Cioni, Matteo; Polino, Daniela; Ferrando, Riccardo; Pavan, Giovanni M.. - In: COMMUNICATIONS CHEMISTRY. - ISSN 2399-3669. - ELETTRONICO. - 6:(2023). [10.1038/s42004-023-00936-z] | 1-gen-2023 | Daniele RapettiMassimo Delle PianeMatteo CioniGiovanni M. Pavan + | s42004-023-00936-z-1.pdf |
Subtle Stereochemical Effects Influence Binding and Purification Abilities of an FeII4L4 Cage / Xue, Weichao; Pesce, Luca; Bellamkonda, Adinarayana; Ronson, Tanya K.; Wu, Kai; Zhang, Dawei; Vanthuyne, Nicolas; Brotin, Thierry; Martinez, Alexandre; Pavan, Giovanni M.; Nitschke, Jonathan R.. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 1520-5126. - 145:9(2023), pp. 5570-5577. [10.1021/jacs.3c00294] | 1-gen-2023 | Luca PesceGiovanni M. Pavan + | jacs.3c00294.pdf |
Supramolecular Semiconductivity through Emerging Ionic Gates in Ion–Nanoparticle Superlattices / Lionello, Chiara; Perego, Claudio; Gardin, Andrea; Klajn, Rafal; Pavan, Giovanni M.. - In: ACS NANO. - ISSN 1936-086X. - 17:1(2023), pp. 275-287. [10.1021/acsnano.2c07558] | 1-gen-2023 | Chiara LionelloAndrea GardinGiovanni M. Pavan + | acsnano.2c07558.pdf |
Synthesis of C60/[10]CPP‐Catenanes by Regioselective, Nanocapsule‐Templated Bingel Bis‐Addition / Steudel, Fabian M.; Ubasart, Ernest; Leanza, Luigi; Pujals, Míriam; Parella, Teodor; Pavan, Giovanni M.; Ribas, Xavi; von Delius, Max. - In: ANGEWANDTE CHEMIE. - ISSN 1521-3773. - 62:42(2023), pp. 1-6. [10.1002/anie.202309393] | 1-gen-2023 | Luigi LeanzaGiovanni M. Pavan + | Angew Chem Int Ed - 2023 - Steudel - Synthesis of C60 10 CPP‐Catenanes by Regioselective Nanocapsule‐Templated Bingel.pdf |
Systematic exploration of accessible topologies of cage molecules via minimalistic models / Tarzia, Andrew; Wolpert, Emma H.; Jelfs, Kim E.; Pavan, Giovanni M.. - In: CHEMICAL SCIENCE. - ISSN 2041-6520. - 44:14(2023), pp. 12506-12517. [10.1039/D3SC03991A] | 1-gen-2023 | Tarzia, AndrewPavan, Giovanni M. + | d3sc03991a.pdf |
TimeSOAP: Tracking high-dimensional fluctuations in complex molecular systems via time variations of SOAP spectra / Caruso, Cristina; Cardellini, Annalisa; Crippa, Martina; Rapetti, Daniele; Pavan, Giovanni M.. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 158:21(2023). [10.1063/5.0147025] | 1-gen-2023 | Cristina CarusoAnnalisa CardelliniMartina CrippaDaniele RapettiGiovanni M. Pavan | JCP23-AcceptedVersion.pdf; TimeSOAP_JChemPhys-Published_compressed.pdf |
Unsupervised Data-Driven Reconstruction of Molecular Motifs in Simple to Complex Dynamic Micelles / Cardellini, Annalisa; Crippa, Martina; Lionello, Chiara; Afrose, Syed Pavel; Das, Dibyendu; Pavan, Giovanni M. - In: THE JOURNAL OF PHYSICAL CHEMISTRY. B. - ISSN 1520-5207. - 127:11(2023), pp. 2595-2608. [10.1021/acs.jpcb.2c08726] | 1-gen-2023 | Cardellini, AnnalisaCrippa, MartinaLionello, ChiaraPavan, Giovanni M + | acs.jpcb.2c08726.pdf |
Automatic multi-objective optimization of coarse-grained lipid force fields using SwarmCG / Empereur-mot, Charly; Capelli, Riccardo; Perrone, Mattia; Caruso, Cristina; Doni, Giovanni; Pavan, Giovanni M.. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - ELETTRONICO. - 156:2(2022), p. 024801. [10.1063/5.0079044] | 1-gen-2022 | Riccardo CapelliMattia PerroneCristina CarusoGiovanni M. Pavan + | JCP21-AR-04102.pdf; JCP-SwarmCG_compressed.pdf |
Classifying soft self-assembled materials via unsupervised machine learning of defects / Gardin, Andrea; Perego, Claudio; Doni, Giovanni; Pavan, Giovanni M.. - In: COMMUNICATIONS CHEMISTRY. - ISSN 2399-3669. - ELETTRONICO. - 5:(2022), p. 82. [10.1038/s42004-022-00699-z] | 1-gen-2022 | Andrea GardinGiovanni M. Pavan + | s42004-022-00699-z.pdf |
Controlling the length of porphyrin supramolecular polymers via coupled equilibria and dilution-induced supramolecular polymerization / Weyandt, Elisabeth; Leanza, Luigi; Capelli, Riccardo; Pavan, Giovanni M.; Vantomme, Ghislaine; Meijer, E. W.. - In: NATURE COMMUNICATIONS. - ISSN 2041-1723. - ELETTRONICO. - 13:1(2022), p. 248. [10.1038/s41467-021-27831-2] | 1-gen-2022 | Luigi LeanzaRiccardo CapelliGiovanni M. Pavan + | s41467-021-27831-2.pdf |
Density-tunable pathway complexity in a minimalistic self-assembly model / Becchi, Matteo; Capelli, Riccardo; Perego, Claudio; Pavan, Giovanni M.; Micheletti, Cristian. - In: SOFT MATTER. - ISSN 1744-683X. - 18:(2022), pp. 8106-8116. [10.1039/D2SM00968D] | 1-gen-2022 | Becchi,MatteoCapelli,RiccardoPavan,Giovanni M. + | Becchietal2022-postprint-accepted.pdf; Becchietal2022-postprint-published.pdf |
Ephemeral ice-like local environments in classical rigid models of liquid water / Capelli, R.; Muniz-Miranda, F.; Pavan, G. M.. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - ELETTRONICO. - 156:21(2022), p. 214503. [10.1063/5.0088599] | 1-gen-2022 | Capelli R.Pavan G. M. + | 5.0088599.pdf; JCP22-AR-00618.pdf |
Molecular communications in complex systems of dynamic supramolecular polymers / Crippa, M.; Perego, C.; de Marco, A. L.; Pavan, G. M.. - In: NATURE COMMUNICATIONS. - ISSN 2041-1723. - ELETTRONICO. - 13:1(2022), p. 2162. [10.1038/s41467-022-29804-5] | 1-gen-2022 | Crippa M.Pavan G. M. + | s41467-022-29804-5.pdf |
Porous covalent organic nanotubes and their assembly in loops and toroids / Koner, Kalipada; Karak, Shayan; Kandambeth, Sharath; Karak, Suvendu; Thomas, Neethu; Leanza, Luigi; Perego, Claudio; Pesce, Luca; Capelli, Riccardo; Moun, Monika; Bhakar, Monika; Ajithkumar, Thalasseril G.; Pavan, Giovanni M.; Banerjee, Rahul. - In: NATURE CHEMISTRY. - ISSN 1755-4330. - ELETTRONICO. - (2022). [10.1038/s41557-022-00908-1] | 1-gen-2022 | Luigi LeanzaRiccardo CapelliGiovanni M. Pavan + | Accepted-Version.pdf; s41557-022-00908-1_compressed.pdf |