Back to Search Start Over

Promoting transparency and reproducibility in enhanced molecular simulations

Authors :
Bonomi, M.
Bussi, G.
Camilloni, C.
Tribello, G.A.
Banáš, 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.
Donadio, D.
Drobot, V.
Ensing, B.
Ferguson, A.L.
Filizola, M.
Fraser, J.S.
Fu, H.
Gasparotto, P.
Gervasio, F.L.
Giberti, F.
Gil-Ley, A.
Giorgino, T.
Heller, G.T.
Hocky, G.M.
Iannuzzi, M.
Invernizzi, M.
Jelfs, K.E.
Jussupow, A.
Kirilin, E.
Laio, A.
Limongelli, V.
Lindorff-Larsen, K.
Löhr, 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.M.
Pietropaolo, A.
Pietrucci, F.
Pipolo, S.
Provasi, D.
Quigley, D.
Raiteri, Paolo
Raniolo, S.
Rydzewski, J.
Salvalaglio, M.
Sosso, G.C.
Spiwok, V.
Šponer, J.
Swenson, D.W.H.
Tiwary, P.
Valsson, O.
Vendruscolo, M.
Voth, G.A.
White, A.
Bonomi, M.
Bussi, G.
Camilloni, C.
Tribello, G.A.
Banáš, 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.
Donadio, D.
Drobot, V.
Ensing, B.
Ferguson, A.L.
Filizola, M.
Fraser, J.S.
Fu, H.
Gasparotto, P.
Gervasio, F.L.
Giberti, F.
Gil-Ley, A.
Giorgino, T.
Heller, G.T.
Hocky, G.M.
Iannuzzi, M.
Invernizzi, M.
Jelfs, K.E.
Jussupow, A.
Kirilin, E.
Laio, A.
Limongelli, V.
Lindorff-Larsen, K.
Löhr, 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.M.
Pietropaolo, A.
Pietrucci, F.
Pipolo, S.
Provasi, D.
Quigley, D.
Raiteri, Paolo
Raniolo, S.
Rydzewski, J.
Salvalaglio, M.
Sosso, G.C.
Spiwok, V.
Šponer, J.
Swenson, D.W.H.
Tiwary, P.
Valsson, O.
Vendruscolo, M.
Voth, G.A.
White, A.
Publication Year :
2019

Abstract

© 2019, Springer Nature America, Inc. The PLUMED consortium unifies developers and contributors to PLUMED, an open-source library for enhanced-sampling, free-energy calculations and the analysis of molecular dynamics simulations. Here, we outline our efforts to promote transparency and reproducibility by disseminating protocols for enhanced-sampling molecular simulations.

Details

Database :
OAIster
Publication Type :
Electronic Resource
Accession number :
edsoai.on1138721243
Document Type :
Electronic Resource

Tools

Authors Abstract Subjects Details