Promoting transparency and reproducibility in enhanced molecular simulations

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; La Pierre, Marco De; 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; Sosso, Gabriele Cesare; Spiwok, Vojtěch; Šponer, Jiří; Swenson, David W. H.; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew

doi:10.1038/s41592-019-0506-8

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Promoting transparency and reproducibility in enhanced molecular simulations

Bonomi, M., Bussi, G., Camilloni, C., Tribello, G. A., Banáš, P., Barducci, A., et al. (2019). Promoting transparency and reproducibility in enhanced molecular simulations. Nature methods, 16(8), 670-673. doi:10.1038/s41592-019-0506-8.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0004-68B1-F Version Permalink: https://hdl.handle.net/21.11116/0000-0004-68B5-B

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Bonomi, Massimiliano, Author
Bussi, Giovanni, Author
Camilloni, Carlo, Author
Tribello, Gareth A., Author
Banáš, Pavel, Author
Barducci, Alessandro, Author
Bernetti, Mattia, Author
Bolhuis, Peter G., Author
Bottaro, Sandro, Author
Branduardi, Davide, Author
Capelli, Riccardo, Author
Carloni, Paolo, Author
Ceriotti, Michele, Author
Cesari, Andrea, Author
Chen, Haochuan, Author
Chen, Wei, Author
Colizzi, Francesco, Author
De, Sandip, Author
La Pierre, Marco De, Author
Donadio, Davide¹, Author
Drobot, Viktor, AuthorEnsing, Bernd, AuthorFerguson, Andrew L., AuthorFilizola, Marta, AuthorFraser, James S., AuthorFu, Haohao, AuthorGasparotto, Piero, AuthorGervasio, Francesco Luigi, AuthorGiberti, Federico, AuthorGil-Ley, Alejandro, AuthorGiorgino, Toni, AuthorHeller, Gabriella T., AuthorHocky, Glen M., AuthorIannuzzi, Marcella, AuthorInvernizzi, Michele, AuthorJelfs, Kim E., AuthorJussupow, Alexander, AuthorKirilin, Evgeny, AuthorLaio, Alessandro, AuthorLimongelli, Vittorio, AuthorLindorff-Larsen, Kresten, AuthorLöhr, Thomas, AuthorMarinelli, Fabrizio, AuthorMartin-Samos, Layla, AuthorMasetti, Matteo, AuthorMeyer, Ralf, AuthorMichaelides, Angelos, AuthorMolteni, Carla, AuthorMorishita, Tetsuya, AuthorNava, Marco, AuthorPaissoni, Cristina, AuthorPapaleo, Elena, AuthorParrinello, Michele, AuthorPfaendtner, Jim, AuthorPiaggi, Pablo, AuthorPiccini, GiovanniMaria, AuthorPietropaolo, Adriana, AuthorPietrucci, Fabio, AuthorPipolo, Silvio, AuthorProvasi, Davide, AuthorQuigley, David, AuthorRaiteri, Paolo, AuthorRaniolo, Stefano, AuthorRydzewski, Jakub, AuthorSalvalaglio, Matteo, AuthorSosso, Gabriele Cesare, AuthorSpiwok, Vojtěch, AuthorŠponer, Jiří, AuthorSwenson, David W. H., AuthorTiwary, Pratyush, AuthorValsson, Omar², Author Vendruscolo, Michele, AuthorVoth, Gregory A., AuthorWhite, Andrew, Author more..

Affiliations:
1Univ Calif Davis, Dept Chem, Davis, CA 95616 USA, ou_persistent22
2Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society, ou_1800287

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Language(s): eng - English

Dates: Published Online: 2019

Publication Status: Published online

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Identifiers: DOI: 10.1038/s41592-019-0506-8

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Title: Nature methods

Other : Nature methods

Source Genre: Journal

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Publ. Info: New York, NY : Nature Pub. Group

Pages: - Volume / Issue: 16 (8) Sequence Number: - Start / End Page: 670 - 673 Identifier: ISSN: 1548-7091
CoNE: https://pure.mpg.de/cone/journals/resource/111088195279556