Navigation auf zora.uzh.ch
Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Tribello, Gareth A; Banáš, 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; et al (2019). Promoting transparency and reproducibility in enhanced molecular simulations. Nature Methods, 16(8):670-673.
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.
| Item Type: | Journal Article, refereed, original work |
|---|---|
| Communities & Collections: | 07 Faculty of Science > Department of Chemistry |
| Dewey Decimal Classification: | 540 Chemistry |
| Scopus Subject Areas: | Life Sciences > Biotechnology
Life Sciences > Biochemistry Life Sciences > Molecular Biology Life Sciences > Cell Biology |
| Uncontrolled Keywords: | Biotechnology, Cell Biology, Biochemistry, Molecular Biology |
| Language: | English |
| Date: | 1 August 2019 |
| Deposited On: | 06 Sep 2019 10:25 |
| Last Modified: | 02 Mar 2025 04:31 |
| Publisher: | Nature Publishing Group |
| ISSN: | 1548-7091 |
| OA Status: | Closed |
| Publisher DOI: | https://doi.org/10.1038/s41592-019-0506-8 |
| Related URLs: | https://doi.org/10.1038/s41592-019-0506-8 (Publisher) |
Bonomi, Massimiliano