Promoting transparency and reproducibility in enhanced molecular simulations

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 Piaggi; Giovannimaria Piccini; Adriana Pietropaolo; Fabio Pietrucci; Silvio Pipolo; Davide Provasi; David Quigley; Paolo Raiteri; Stefano Raniolo; Jakub Rydzewski; Matteo Salvalaglio; Gabriele Cesare Sosso; Vojtěch Spiwok; Jiří Šponer; David W. H. Swenson; Pratyush Tiwary; Omar Valsson; Michele Vendruscolo; Gregory A. Voth; Andrew White; The Plumed Consortium

doi:10.1038/s41592-019-0506-8

Back

Promoting transparency and reproducibility in enhanced molecular simulations

Journal article

Open access

Peer reviewed

Promoting transparency and reproducibility in enhanced molecular simulations

Massimiliano Bonomi, Giovanni Bussi, Carlo Camilloni, Gareth A. Tribello, Pavel Banáš, Alessandro Barducci, Mattia Bernetti, Peter G. Bolhuis, Sandro Bottaro, Davide Branduardi, …

Nature Methods, Vol.16(8), pp.670-673

30/07/2019

DOI: https://doi.org/10.1038/s41592-019-0506-8

PMID: 31363226

Files and links (1)

url

Find in HALView

Metrics

1 Record Views

See more details

Details

Title: Promoting transparency and reproducibility in enhanced molecular simulations
Creators - without role: Massimiliano Bonomi - Centre de Biologie Structurale
Giovanni Bussi - Scuola Internazionale Superiore di Studi Avanzati
Carlo Camilloni - University of Milan
Gareth A. Tribello - Queen's University Belfast
Pavel Banáš
Alessandro Barducci - Université de Montpellier, Centre de Biologie Structurale - CBS
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 Piaggi
Giovannimaria Piccini
Adriana Pietropaolo
Fabio Pietrucci - Institut de minéralogie, de physique des matériaux et de cosmochimie
Silvio Pipolo - Catalyse
Davide Provasi
David Quigley
Paolo Raiteri
Stefano Raniolo
Jakub Rydzewski
Matteo Salvalaglio
Gabriele Cesare Sosso
Vojtěch Spiwok
Jiří Šponer
David W. H. Swenson - Centre Blaise Pascal
Pratyush Tiwary
Omar Valsson
Michele Vendruscolo
Gregory A. Voth
Andrew White - University of Rochester
The Plumed Consortium
Publication Details: Nature Methods, Vol.16(8), pp.670-673
Identifiers: 9938890609311
Academic Unit: Centre de Biologie Structurale - CBS
Language: English
Resource Type: Journal article
Local Fields: hal-03135913