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Promoting transparency and reproducibility in enhanced molecular simulations. / Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Tribello, Gareth A.; Banas, 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; Lohr, 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, Vojtech; Sponer, Jiri; Swenson, David W. H.; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew.
In:
Nature Methods, Vol. 16, No. 8, 2019, p. 670-673.
Research output: Contribution to journal › Editorial › Research › peer-review
Harvard
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 2019, '
Promoting transparency and reproducibility in enhanced molecular simulations',
Nature Methods, vol. 16, no. 8, pp. 670-673.
https://doi.org/10.1038/s41592-019-0506-8APA
Bonomi, M., Bussi, G., Camilloni, C., Tribello, G. A., Banas, 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., ... White, A. (2019).
Promoting transparency and reproducibility in enhanced molecular simulations.
Nature Methods,
16(8), 670-673.
https://doi.org/10.1038/s41592-019-0506-8Vancouver
Bonomi M, Bussi G, Camilloni C, Tribello GA, Banas P, Barducci A et al.
Promoting transparency and reproducibility in enhanced molecular simulations.
Nature Methods. 2019;16(8):670-673.
https://doi.org/10.1038/s41592-019-0506-8Author
Bonomi, Massimiliano ; Bussi, Giovanni ; Camilloni, Carlo ; Tribello, Gareth A. ; Banas, 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 ; Lohr, 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, Vojtech ; Sponer, Jiri ; Swenson, David W. H. ; Tiwary, Pratyush ; Valsson, Omar ; Vendruscolo, Michele ; Voth, Gregory A. ; White, Andrew. / Promoting transparency and reproducibility in enhanced molecular simulations. In: Nature Methods. 2019 ; Vol. 16, No. 8. pp. 670-673.
Bibtex
@article{efcf56791146487f80f54035c01c9932,
title = "Promoting transparency and reproducibility in enhanced molecular simulations",
author = "Massimiliano Bonomi and Giovanni Bussi and Carlo Camilloni and Tribello, {Gareth A.} and Pavel Banas and Alessandro Barducci and Mattia Bernetti and Bolhuis, {Peter G.} and Sandro Bottaro and Davide Branduardi and Riccardo Capelli and Paolo Carloni and Michele Ceriotti and Andrea Cesari and Haochuan Chen and Wei Chen and Francesco Colizzi and Sandip De and {De La Pierre}, Marco and Davide Donadio and Viktor Drobot and Bernd Ensing and Ferguson, {Andrew L.} and Marta Filizola and Fraser, {James S.} and Haohao Fu and Piero Gasparotto and Gervasio, {Francesco Luigi} and Federico Giberti and Alejandro Gil-Ley and Toni Giorgino and Heller, {Gabriella T.} and Hocky, {Glen M.} and Marcella Iannuzzi and Michele Invernizzi and Jelfs, {Kim E.} and Alexander Jussupow and Evgeny Kirilin and Alessandro Laio and Vittorio Limongelli and Kresten Lindorff-Larsen and Thomas Lohr and Fabrizio Marinelli and Layla Martin-Samos and Matteo Masetti and Ralf Meyer and Angelos Michaelides and Carla Molteni and Tetsuya Morishita and Marco Nava and Cristina Paissoni and Elena Papaleo and Michele Parrinello and Jim Pfaendtner and Pablo Piaggi and GiovanniMaria Piccini and Adriana Pietropaolo and Fabio Pietrucci and Silvio Pipolo and Davide Provasi and David Quigley and Paolo Raiteri and Stefano Raniolo and Jakub Rydzewski and Matteo Salvalaglio and Sosso, {Gabriele Cesare} and Vojtech Spiwok and Jiri Sponer and Swenson, {David W. H.} and Pratyush Tiwary and Omar Valsson and Michele Vendruscolo and Voth, {Gregory A.} and Andrew White",
year = "2019",
doi = "10.1038/s41592-019-0506-8",
language = "English",
volume = "16",
pages = "670--673",
journal = "Nature Methods",
issn = "1548-7091",
publisher = "nature publishing group",
number = "8",
}
RIS
TY - JOUR
T1 - Promoting transparency and reproducibility in enhanced molecular simulations
AU - Bonomi, Massimiliano
AU - Bussi, Giovanni
AU - Camilloni, Carlo
AU - Tribello, Gareth A.
AU - Banas, Pavel
AU - Barducci, Alessandro
AU - Bernetti, Mattia
AU - Bolhuis, Peter G.
AU - Bottaro, Sandro
AU - Branduardi, Davide
AU - Capelli, Riccardo
AU - Carloni, Paolo
AU - Ceriotti, Michele
AU - Cesari, Andrea
AU - Chen, Haochuan
AU - Chen, Wei
AU - Colizzi, Francesco
AU - De, Sandip
AU - De La Pierre, Marco
AU - Donadio, Davide
AU - Drobot, Viktor
AU - Ensing, Bernd
AU - Ferguson, Andrew L.
AU - Filizola, Marta
AU - Fraser, James S.
AU - Fu, Haohao
AU - Gasparotto, Piero
AU - Gervasio, Francesco Luigi
AU - Giberti, Federico
AU - Gil-Ley, Alejandro
AU - Giorgino, Toni
AU - Heller, Gabriella T.
AU - Hocky, Glen M.
AU - Iannuzzi, Marcella
AU - Invernizzi, Michele
AU - Jelfs, Kim E.
AU - Jussupow, Alexander
AU - Kirilin, Evgeny
AU - Laio, Alessandro
AU - Limongelli, Vittorio
AU - Lindorff-Larsen, Kresten
AU - Lohr, Thomas
AU - Marinelli, Fabrizio
AU - Martin-Samos, Layla
AU - Masetti, Matteo
AU - Meyer, Ralf
AU - Michaelides, Angelos
AU - Molteni, Carla
AU - Morishita, Tetsuya
AU - Nava, Marco
AU - Paissoni, Cristina
AU - Papaleo, Elena
AU - Parrinello, Michele
AU - Pfaendtner, Jim
AU - Piaggi, Pablo
AU - Piccini, GiovanniMaria
AU - Pietropaolo, Adriana
AU - Pietrucci, Fabio
AU - Pipolo, Silvio
AU - Provasi, Davide
AU - Quigley, David
AU - Raiteri, Paolo
AU - Raniolo, Stefano
AU - Rydzewski, Jakub
AU - Salvalaglio, Matteo
AU - Sosso, Gabriele Cesare
AU - Spiwok, Vojtech
AU - Sponer, Jiri
AU - Swenson, David W. H.
AU - Tiwary, Pratyush
AU - Valsson, Omar
AU - Vendruscolo, Michele
AU - Voth, Gregory A.
AU - White, Andrew
PY - 2019
Y1 - 2019
U2 - 10.1038/s41592-019-0506-8
DO - 10.1038/s41592-019-0506-8
M3 - Editorial
C2 - 31363226
VL - 16
SP - 670
EP - 673
JO - Nature Methods
JF - Nature Methods
SN - 1548-7091
IS - 8
ER -
