CAPELLI, RICCARDO

CAPELLI, RICCARDO  

060274  

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Risultati 1 - 14 di 14 (tempo di esecuzione: 0.028 secondi).
Citazione Data di pubblicazione Autori File
Accuracy of Molecular Simulation-Based Predictions of koff Values: A Metadynamics Study / Capelli, R.; Lyu, W.; Bolnykh, V.; Meloni, S.; Olsen, J. M. H.; Rothlisberger, U.; Parrinello, M.; Carloni, P.. - In: THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS. - ISSN 1948-7185. - 11:15(2020), pp. 6373-6381. [10.1021/acs.jpclett.0c00999] 1-gen-2020 Capelli R. + receptor.pdfjz0c00999_si_001.pdfLaTeX_JPCLetters-2.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.pdfJCP-SwarmCG_compressed.pdf
Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors / Baldessari, Filippo; Capelli, Riccardo; Carloni, Paolo; Giorgetti, Alejandro. - In: COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL. - ISSN 2001-0370. - ELETTRONICO. - 18:(2020), pp. 1153-1159. [10.1016/j.csbj.2020.05.003] 1-gen-2020 Capelli, Riccardo + 1-s2.0-S200103702030266X-main-2.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
Cooperative Supramolecular Block Copolymerization for the Synthesis of Functional Axial Organic Heterostructures / Sarkar, A.; Behera, T.; Sasmal, R.; Capelli, R.; Empereur-Mot, C.; Mahato, J.; Agasti, S. S.; Pavan, G. M.; Chowdhury, A.; George, S. J.. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - 142:26(2020), pp. 11528-11539. [10.1021/jacs.0c04404] 1-gen-2020 Capelli R.Pavan G. M. + supramolecular.pdfja0c04404_si_001.pdfsubi2.pdfJACS_10.1021:jacs.0c04404.pdf
A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields / Capelli, Riccardo; Gardin, Andrea; Empereur-mot, Charly; Doni, Giovanni; Pavan, Giovanni M.. - In: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. - ISSN 1520-6106. - ELETTRONICO. - (2021). [10.1021/acs.jpcb.1c02503] 1-gen-2021 Riccardo CapelliAndrea GardinGiovanni M. Pavan + acs.jpcb.1c02503.pdf
Enhanced sampling approach to the induced-fit docking problem in protein-ligand binding: the Case of mono-ADP-ribosylation hydrolase inhibitors / Zhao, Qianqian; Capelli, Riccardo; Carloni, Paolo; Lüscher, Bernhard; Li, Jinyu; Rossetti, Giulia. - In: JOURNAL OF CHEMICAL THEORY AND COMPUTATION. - ISSN 1549-9618. - ELETTRONICO. - 17:12(2021), pp. 7899-7911. 1-gen-2021 Capelli,Riccardo + acs.jctc.1c00649.pdf
Enhanced-Sampling Simulations for the Estimation of Ligand Binding Kinetics: Current Status and Perspective / Ahmad, Katya; Rizzi, Andrea; Capelli, Riccardo; Mandelli, Davide; Lyu, Wenping; Carloni, Paolo. - In: FRONTIERS IN MOLECULAR BIOSCIENCES. - ISSN 2296-889X. - ELETTRONICO. - 9:(2022), p. 899805. [10.3389/fmolb.2022.899805] 1-gen-2022 Riccardo Capelli + fmolb-09-899805.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.pdfJCP22-AR-00618.pdf
Evolution of frustrated and stabilising contacts in reconstructed ancient proteins / Crippa, M.; Andreghetti, D.; Capelli, R.; Tiana, G.. - In: EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS. - ISSN 0175-7571. - ELETTRONICO. - 50:5(2021), pp. 699-712. [10.1007/s00249-021-01500-0] 1-gen-2021 Crippa M.Capelli R. + Crippa2021_Article_EvolutionOfFrustratedAndStabil-2.pdf
Multiple Poses and Thermodynamics of Ligands Targeting Protein Surfaces: The Case of Furosemide Binding to mitoNEET in Aqueous Solution / Hoang, Linh Gia; Goßen, Jonas; Capelli, Riccardo; Nguyen, Toan T.; Sun, Zhaoxi; Zuo, Ke; Schulz, Jörg B.; Rossetti, Giulia; Carloni, Paolo. - In: FRONTIERS IN CELL AND DEVELOPMENTAL BIOLOGY. - ISSN 2296-634X. - ELETTRONICO. - 10:(2022). [10.3389/fcell.2022.886568] 1-gen-2022 Capelli, Riccardo + fcell-10-886568.pdf
Multiscale Molecular Modelling of ATP‐Fueled Supramolecular Polymerisation and Depolymerisation / Perego, Claudio; Pesce, Luca; Capelli, Riccardo; George, Subi J.; Pavan, Giovanni M.. - In: CHEMSYSTEMSCHEM. - ISSN 2570-4206. - 3:e2000038(2021). [10.1002/syst.202000038] 1-gen-2021 Capelli, RiccardoPavan, Giovanni M. + chem_sys_chem_2020-Draft.pdfsyst.202000038.pdfmanuscript.pdfsupporting_information.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.pdfs41557-022-00908-1_compressed.pdf
Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-Based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization / Empereur-Mot, Charly; Pesce, Luca; Doni, Giovanni; Bochicchio, Davide; Capelli, Riccardo; Perego, Claudio; Pavan, Giovanni M.. - In: ACS OMEGA. - ISSN 2470-1343. - (2020). [10.1021/acsomega.0c05469] 1-gen-2020 Riccardo CapelliGiovanni M. Pavan + acsomega.0c05469.pdf