Promoting transparency and reproducibility in enhanced molecular simulations von Bonomi, Massimiliano, Bussi, Giovanni, Camilloni, Carlo, Tribello, Gareth A, Banáš, Pavel, Barducci, Alessandro, Bernetti, Mattia, Bolhuis, Peter G, Bottaro, Sandro, Branduardi, Davide, Capelli, Riccardo, Carloni, Paolo, Ceriotti, Michele, Cesari, Andrea, Chen, Haochuan, Chen, Wei, Colizzi, Francesco, De, Sandip, De La Pierre, Marco, Donadio, Davide, Drobot, Viktor, Ensing, Bernd, Ferguson, Andrew L, Filizola, Marta, Fraser, James S, Fu, Haohao, Gasparotto, Piero, Gervasio, Francesco Luigi, Giberti, Federico, Gil-Ley, Alejandro, Giorgino, Toni, Heller, Gabriella T, Hocky, Glen M, Iannuzzi, Marcella, Invernizzi, Michele, Jelfs, Kim E, Jussupow, Alexander, Kirilin, Evgeny, Laio, Alessandro, Limongelli, Vittorio, Lindorff-Larsen, Kresten, Löhr, Thomas, Marinelli, Fabrizio, Martin-Samos, Layla, Masetti, Matteo, Meyer, Ralf, Michaelides, Angelos, Molteni, Carla, Morishita, Tetsuya, Nava, Marco, Paissoni, Cristina, Papaleo, Elena, Parrinello, Michele, Pfaendtner, Jim, Piaggi, Pablo, Piccini, GiovanniMaria, Pietropaolo, Adriana, Pietrucci, Fabio, Pipolo, Silvio, Provasi, Davide, Quigley, David, Raiteri, Paolo, Raniolo, Stefano, Rydzewski, Jakub, Salvalaglio, Matteo, Gabriele Cesare Sosso, Spiwok, Vojtěch, Šponer, Jiří, Swenson, David W H, Tiwary, Pratyush, Valsson, Omar, Vendruscolo, Michele, Voth, Gregory A, White, Andrew

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Promoting transparency and reproducibility in enhanced molecular simulations von Bonomi, M, Bussi, G, Camilloni, C, Tribello, GA, Banas, P, Barducci, A, Bernetti, M, Bolhuis, PG, Bottaro, S, Branduardi, D, Capelli, R, Carloni, P, Ceriotti, M, Cesari, A, Chen, H, Chen, W, Colizzi, F, De, S, De La Pierre, M, Donadio, D, Drobot, V, Ensing, B, Ferguson, AL, Filizola, M, Fraser, JS, Fu, H, Gasparotto, P, Gervasio, FL, Giberti, F, Gil-Ley, A, Giorgino, T, Heller, GT, Hocky, GM, Iannuzzi, M, Invernizzi, M, Jelfs, KE, Jussupow, A, Kirilin, E, Laio, A, Limongelli, V, Lindorff-Larsen, K, Lohr, T, Marinelli, F, Martin-Samos, L, Masetti, M, Meyer, R, Michaelides, A, Molteni, C, Morishita, T, Nava, M, Paissoni, C, Papaleo, E, Parrinello, M, Pfaendtner, J, Piaggi, P, Piccini, G, Pietropaolo, A, Pietrucci, F, Pipolo, S, Provasi, D, Quigley, D, Raiteri, P, Raniolo, S, Rydzewski, J, Salvalaglio, M, Sosso, GC, Spiwok, V, Sponer, J, Swenson, DWH, Tiwary, P, Valsson, O, Vendruscolo, M, Voth, GA, White, A

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Evolution of the conformational dynamics of the molecular chaperone Hsp90 von Kaila, Ville

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Promoting transparency and reproducibility in enhanced molecular simulations von Bonomi, M, Bussi, G, Camilloni, C, Tribello, GA, Banas, P, Barducci, A, Bernetti, M, Bolhuis, PG, Bottaro, S, Branduardi, D, Capelli, R, Carloni, P, Ceriotti, M, Cesari, A, Chen, H, Chen, W, Colizzi, F, De, S, De La Pierre, M, Donadio, D, Drobot, V, Ensing, B, Ferguson, AL, Filizola, M, Fraser, JS, Fu, H, Gasparotto, P, Gervasio, FL, Giberti, F, Gil-Ley, A, Giorgino, T, Heller, GT, Hocky, GM, Iannuzzi, M, Invernizzi, M, Jelfs, KE, Jussupow, A, Kirilin, E, Laio, A, Limongelli, V, Lindorff-Larsen, K, Lohr, T, Marinelli, F, Martin-Samos, L, Masetti, M, Meyer, R, Michaelides, A, Molteni, C, Morishita, T, Nava, M, Paissoni, C, Papaleo, E, Parrinello, M, Pfaendtner, J, Piaggi, P, Piccini, G, Pietropaolo, A, Pietrucci, F, Pipolo, S, Provasi, D, Quigley, D, Raiteri, P, Raniolo, S, Rydzewski, J, Salvalaglio, M, Sosso, GC, Spiwok, V, Sponer, J, Swenson, DWH, Tiwary, P, Valsson, O, Vendruscolo, M, Voth, GA, White, A

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Promoting transparency and reproducibility in enhanced molecular simulations von Bonomi, M, Bussi, G, Camilloni, C, Tribello, G.A, Banáš, P, Barducci, A, Bernetti, M, Bolhuis, P.G, Bottaro, S, Branduardi, D, Capelli, R, Carloni, P, Ceriotti, M, Cesari, A, Chen, H, Chen, W, Colizzi, F, De, S, De La Pierre, M, Donadio, D, Drobot, V, Ensing, B, Ferguson, A.L, Filizola, M, Fraser, J.S, Fu, H, Gasparotto, P, Gervasio, F.L, Giberti, F, Gil-Ley, A, Giorgino, T, Heller, G.T, Hocky, G.M, Iannuzzi, M, Invernizzi, M, Jelfs, K.E, Jussupow, A, Kirilin, E, Laio, A, Limongelli, V, Lindorff-Larsen, K, Löhr, T, Marinelli, F, Martin-Samos, L, Masetti, M, Meyer, R, Michaelides, A, Molteni, C, Morishita, T, Nava, M, Paissoni, C, Papaleo, E, Parrinello, M, Pfaendtner, J, Piaggi, P, Piccini, G.M, Pietropaolo, A, Pietrucci, F, Pipolo, S, Provasi, D, Quigley, D, Raiteri, Paolo, Raniolo, S, Rydzewski, J, Salvalaglio, M, Sosso, G.C, Spiwok, V, Šponer, J, Swenson, D.W.H, Tiwary, P, Valsson, O, Vendruscolo, M, Voth, G.A, White, A

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Site-specific ubiquitylation and SUMOylation using genetic-code expansion and sortase von Fottner, Maximilian, Brunner, Andreas-David, Bittl, Verena, Horn-Ghetko, Daniel, Jussupow, Alexander, Kaila, Ville R. I., Bremm, Anja, Lang, Kathrin

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Determination of Protein Structural Ensembles by Hybrid-Resolution SAXS Restrained Molecular Dynamics von Paissoni, Cristina, Jussupow, Alexander, Camilloni, Carlo

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An Integrative Perspective on Algorithm Aversion and Appreciation in Decision-Making von Jussupow, Ekaterina, Benbasat, Izak, Heinzl, Armin

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Metadynamic metainference: Convergence towards force field independent structural ensembles of a disordered peptide von Löhr, Thomas, Jussupow, Alexander, Camilloni, Carlo

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Martini bead form factors for nucleic acids and their application in the refinement of protein–nucleic acid complexes against SAXS data von Paissoni, Cristina, Jussupow, Alexander, Camilloni, Carlo

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Reciprocal Coupling in Chemically Fueled Assembly: A Reaction Cycle Regulates Self-Assembly and Vice Versa von Kriebisch, Brigitte A. K, Jussupow, Alexander, Bergmann, Alexander M, Kohler, Fabian, Dietz, Hendrik, Kaila, Ville R. I, Boekhoven, Job

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Stabilization and structural analysis of a membrane-associated hIAPP aggregation intermediate von Rodriguez Camargo, Diana C, Korshavn, Kyle J, Jussupow, Alexander, Raltchev, Kolio, Goricanec, David, Fleisch, Markus, Sarkar, Riddhiman, Xue, Kai, Aichler, Michaela, Mettenleiter, Gabriele, Walch, Axel Karl, Camilloni, Carlo, Hagn, Franz, Reif, Bernd, Ramamoorthy, Ayyalusamy

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Structure of inhibitor-bound mammalian complex I von Bridges, Hannah R., Fedor, Justin G., Blaza, James N., Di Luca, Andrea, Jussupow, Alexander, Jarman, Owen D., Wright, John J., Agip, Ahmed-Noor A., Gamiz-Hernandez, Ana P., Roessler, Maxie M., Kaila, Ville R. I., Hirst, Judy

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Structural basis for terminal loop recognition and stimulation of pri-miRNA-18a processing by hnRNP A1 von Kooshapur, Hamed, Choudhury, Nila Roy, Simon, Bernd, Mühlbauer, Max, Jussupow, Alexander, Fernandez, Noemi, Jones, Alisha N., Dallmann, Andre, Gabel, Frank, Camilloni, Carlo, Michlewski, Gracjan, Caceres, Javier F., Sattler, Michael

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Radiologists’ Usage of Diagnostic AI Systems: The Role of Diagnostic Self-Efficacy for Sensemaking from Confirmation and Disconfirmation von Jussupow, Ekaterina, Spohrer, Kai, Heinzl, Armin

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Identity Threats as a Reason for Resistance to Artificial Intelligence: Survey Study With Medical Students and Professionals von Jussupow, Ekaterina, Spohrer, Kai, Heinzl, Armin

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Terminal Electron–Proton Transfer Dynamics in the Quinone Reduction of Respiratory Complex I von Gamiz-Hernandez, Ana P, Jussupow, Alexander, Johansson, Mikael P, Kaila, Ville R. I

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Effective Molecular Dynamics from Neural Network-Based Structure Prediction Models von Jussupow, Alexander, Kaila, Ville R. I.

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Evolution of the conformational dynamics of the molecular chaperone Hsp90 von Riedl, Stefan, Bilgen, Ecenaz, Agam, Ganesh, Hirvonen, Viivi, Jussupow, Alexander, Tippl, Franziska, Riedl, Maximilian, Maier, Andreas, Becker, Christian F. W., Kaila, Ville R. I., Lamb, Don C., Buchner, Johannes

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Unraveling phase behavior of folded proteins and RNA via simulation von Jussupow, Alexander, Van, Thong, Bartley, Divya, Lapidus, Lisa J., Feig, Michael

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