Promoting transparency and reproducibility in enhanced molecular simulations

M Bonomi and G Bussi and C Camilloni and GA Tribello and P Banas and A Barducci and M Bernetti and PG Bolhuis and S Bottaro and D Branduardi and R Capelli and P Carloni and M Ceriotti and A Cesari and HC Chen and W Chen and F Colizzi and S De and M De La Pierre and D Donadio and V Drobot and B Ensing and AL Ferguson and M Filizola and JS Fraser and HH Fu and P Gasparotto and FL Gervasio and F Giberti and A Gil-Ley and T Giorgino and GT Heller and GM Hocky and M Iannuzzi and M Invernizzi and KE Jelfs and A Jussupow and E Kirilin and A Laio and V Limongelli and K Lindorff-Larsen and T Lohr and F Marinelli and L Martin-Samos and M Masetti and R Meyer and A Michaelides and C Molteni and T Morishita and M Nava and C Paissoni and E Papaleo and M Parrinello and J Pfaendtner and P Piaggi and G Piccini and A Pietropaolo and F Pietrucci and S Pipolo and D Provasi and D Quigley and P Raiteri and S Raniolo and J Rydzewski and M Salvalaglio and GC Sosso and V Spiwok and J Sponer and DWH Swenson and P Tiwary and O Valsson and M Vendruscolo and GA Voth and A White, NATURE METHODS, 16, 670-673 (2019).

DOI: 10.1038/s41592-019-0506-8

Return to Publications page