Determination of intermediate state structures in the opening pathway of SARS-CoV-2 spike using cryo-electron microscopy von Brotzakis, Z. Faidon, Löhr, Thomas, Vendruscolo, Michele

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Effects of α-tubulin acetylation on microtubule structure and stability von Eshun-Wilson, Lisa, Zhang, Rui, Portran, Didier, Nachury, Maxence V., Toso, Daniel B., Löhr, Thomas, Vendruscolo, Michele, Bonomi, Massimiliano, Fraser, James S., Nogales, Eva

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A Small Molecule Stabilizes the Disordered Native State of the Alzheimer’s Aβ Peptide von Löhr, Thomas, Kohlhoff, Kai, Heller, Gabriella T., Camilloni, Carlo, Vendruscolo, Michele

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Determination of the Structure and Dynamics of the Fuzzy Coat of an Amyloid Fibril of IAPP Using Cryo-Electron Microscopy von Faidon Brotzakis, Z., Löhr, Thomas, Truong, Steven, Hoff, Samuel, Bonomi, Massimiliano, Vendruscolo, Michele

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Conformational Entropy as a Potential Liability of Computationally Designed Antibodies von Löhr, Thomas, Sormanni, Pietro, Vendruscolo, Michele

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A Practical Guide to the Simultaneous Determination of Protein Structure and Dynamics Using Metainference von Löhr, Thomas, Camilloni, Carlo, Bonomi, Massimiliano, Vendruscolo, Michele

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A kinetic ensemble of the Alzheimer’s Aβ peptide von Löhr, Thomas, Kohlhoff, Kai, Heller, Gabriella T., Camilloni, Carlo, Vendruscolo, Michele

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An intrinsically disordered motif regulates the interaction between the p47 adaptor and the p97 AAA+ ATPase von Conicella, Alexander E., Huang, Rui, Ripstein, Zev A., Nguyen, Ai, Wang, Eric, Löhr, Thomas, Schuck, Peter, Vendruscolo, Michele, Rubinstein, John L., Kay, Lewis E.

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Navigating the Maize: cyclic and conditional computational graphs for molecular simulation von Löhr, Thomas, Assante, Michele, Dodds, Michael, Cao, Lili, Kabeshov, Mikhail, Janet, Jon-Paul, Klähn, Marco, Engkvist, Ola

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Estimation of Ligand Binding Free Energy Using Multi-eGO von Stegani, Bruno, Scalone, Emanuele, Toplek, Fran Bačić, Löhr, Thomas, Gianni, Stefano, Vendruscolo, Michele, Capelli, Riccardo, Camilloni, Carlo

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Small-molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer's disease von Heller, Gabriella T, Aprile, Francesco A, Michaels, Thomas C T, Limbocker, Ryan, Perni, Michele, Ruggeri, Francesco Simone, Mannini, Benedetta, Löhr, Thomas, Bonomi, Massimiliano, Camilloni, Carlo, De Simone, Alfonso, Felli, Isabella C, Pierattelli, Roberta, Knowles, Tuomas P J, Dobson, Christopher M, Vendruscolo, Michele

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Kinetics of Disordered Proteins and their Interactions von Lohr, Thomas

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Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification von Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J

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Apoptosis as a possible cause of gradual development of complete heart block and fatal arrhythmias associated with absence of the AV node, sinus node, and internodal pathways von JAMES, T. N, MARTIN, E. S, WILLIS, P. W, LOHR, T. O

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Discovery of Highly Potent and Selective Small Molecule ADAMTS‑5 Inhibitors That Inhibit Human Cartilage Degradation via Encoded Library Technology (ELT) von Deng, Hongfeng, O’Keefe, Heather, Davie, Christopher P, Lind, Kenneth E, Acharya, Raksha A, Franklin, G. Joseph, Larkin, Jonathan, Matico, Rosalie, Neeb, Michael, Thompson, Monique M, Lohr, Thomas, Gross, Jeffrey W, Centrella, Paolo A, O’Donovan, Gary K, Bedard, Katie L. (Sargent), van Vloten, Kurt, Mataruse, Sibongile, Skinner, Steven R, Belyanskaya, Svetlana L, Carpenter, Tiffany Y, Shearer, Todd W, Clark, Matthew A, Cuozzo, John W, Arico-Muendel, Christopher C, Morgan, Barry A

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Feral Cats in the Subtropics of Australia—The Shamrock Station Irrigation Project von Lohr, Michael Thomas, Algar, Dave, Hamilton, Neil, Lohr, Cheryl Anne

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Sample efficient reinforcement learning with active learning for molecular design von Dodds, Michael, Guo, Jeff, Löhr, Thomas, Tibo, Alessandro, Engkvist, Ola, Janet, Jon Paul

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A brain‐seeded fibril amplification models the aggregation process of tau in Alzheimer’s disease for drug discovery von Santambrogio, Alessia, Metrick, Michael, Löhr, Thomas, Horne, Robert, Vendruscolo, Michele

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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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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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