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Promoting transparency and reproducibility in enhanced molecular simulations

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

Nature Methods, 2019

Centre National de la Recherche Scientifique, Institut Pasteur, Centre de Biologie Structurale, Scuola Internazionale Superiore di Studi Avanzati, University of Milan, Queen's University Belfast, The Abdus Salam International Centre for Theoretical Physics (ICTP), Palacký University Olomouc, Inserm, Université de Montpellier, Institute for Neurosciences of Montpellier, Amsterdam University of Applied Sciences, Italian Institute of Technology, ETH Zurich, Università della Svizzera italiana, Schrodinger (United States), Forschungszentrum Jülich, École Polytechnique Fédérale de Lausanne, Novelis (Canada), Nankai University, University of Illinois Urbana-Champaign, Institute for Research in Biomedicine, Pawsey Supercomputing Research Centre, University of California, Davis, Lomonosov Moscow State University, University of Chicago, Icahn School of Medicine at Mount Sinai, QB3, University of California, San Francisco, Thomas Young Centre, University College London, Institute of Structural and Molecular Biology, National Institutes of Health, National Heart Lung and Blood Institute, National Research Council, University of Cambridge, New York University, University of Zurich, Institut de minéralogie, de physique des matériaux et de cosmochimie, Unité de catalyse et de chimie du solide de Lille, Imperial College London, Technical University of Munich, Federico II University Hospital, University of Naples Federico II, University of Copenhagen, Istituto Officina dei Materiali, University of Bologna, Graz University of Technology, King's College London, National Institute of Advanced Industrial Science and Technology, Novo Nordisk Foundation, Danish Cancer Society, University of Rochester, University of Washington, Magna Graecia University, Accademia di Belle Arti di Catanzaro, Sorbonne Université, Muséum national d'Histoire naturelle, Université de Lille, Université Lille Nord de France, University of Warwick, Curtin University, Nicolaus Copernicus University, Institute of Physics, University of Chemistry and Technology, Prague, Czech Academy of Sciences, Institute of Biophysics, École Normale Supérieure de Lyon, University of Maryland, College Park, Max Planck Institute for Polymer Research

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