Promoting transparency and reproducibility in enhanced molecular simulationsстатья из журнала
Год издания: 2019
Авторы: Massimiliano Bonomi, Giovanni Bussi, Carlo Camilloni, Gareth A. Tribello, Pavel Banáš, Alessandro Barducci, Mattia Bernetti, Peter G. Bolhuis, Sandro Bottaro, Davide Branduardi, Riccardo Capelli, Paolo Carloni, Michele Ceriotti, Andrea Cesari, Haochuan Chen, Wei Chen, Francesco Colizzi, Sandip De, Marco De La Pierre, Davide Donadio, Viktor Drobot, Bernd Ensing, Andrew L. Ferguson, Marta Filizola, James S. Fraser, Haohao Fu, Piero Gasparotto, Francesco Luigi Gervasio, Federico Giberti, Alejandro Gil-Ley, Toni Giorgino, Gabriella T. Heller, Glen M. Hocky, Marcella Iannuzzi, Michele Invernizzi, Kim E. Jelfs, Alexander Jussupow, Evgeny Kirilin, Alessandro Laio, Vittorio Limongelli, Kresten Lindorff‐Larsen, Thomas Löhr, Fabrizio Marinelli, Layla Martin‐Samos, Matteo Masetti, Ralf Meyer, Angelos Michaelides, Carla Molteni, Tetsuya Morishita, Marco Nava, Cristina Paissoni, Elena Papaleo, Michele Parrinello, Jim Pfaendtner, Pablo M. Piaggi, GiovanniMaria Piccini, Adriana Pietropaolo, Fabio Pietrucci, Silvio Pipolo, Davide Provasi, David Quigley, Paolo Raiteri, Stefano Raniolo, Jakub Rydzewski, Matteo Salvalaglio, Gabriele C. Sosso, Vojtěch Spiwok, Jiŕı́ Šponer, David W. Swenson, Pratyush Tiwary, Ómar Valsson, Michele Vendruscolo, Gregory A. Voth, Andrew Dickson White, The Plumed Consortium
Издательство: Nature Portfolio
Источник: Nature Methods
Ключевые слова: Protein Structure and Dynamics, Machine Learning in Materials Science, Quantum, superfluid, helium dynamics
Другие ссылки: Nature Methods (HTML)
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Research Portal (Queen's University Belfast) (HTML)
HAL (Le Centre pour la Communication Scientifique Directe) (HTML)
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Том: 16
Выпуск: 8
Страницы: 670–673