Promoting transparency and reproducibility in enhanced molecular simulations
Nat Methods
.
2019 Aug;16(8):670-673.
doi: 10.1038/s41592-019-0506-8.
Author
PLUMED consortium
Collaborators
PLUMED consortium
:
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
PMID:
31363226
DOI:
10.1038/s41592-019-0506-8
No abstract available
MeSH terms
Humans
Models, Molecular*
Molecular Conformation
Molecular Dynamics Simulation*
Reproducibility of Results
Software*