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| Hauptseite > Publikationsdatenbank > Promoting transparency and reproducibility in enhanced molecular simulations > print |
| Hauptseite > Publikationsdatenbank > Promoting transparency and reproducibility in enhanced molecular simulations > print |
| 001 | 865794 | ||
| 005 | 20240625095109.0 | ||
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| 100 | 1 | _ | |a Capelli, Riccardo |0 P:(DE-Juel1)174546 |b 0 |e Corresponding author |
| 245 | _ | _ | |a Promoting transparency and reproducibility in enhanced molecular simulations |
| 260 | _ | _ | |a London [u.a.] |c 2019 |b Nature Publishing Group |
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| 520 | _ | _ | |a 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. |
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| 773 | _ | _ | |a 10.1038/s41592-019-0506-8 |g Vol. 16, no. 8, p. 670 - 673 |0 PERI:(DE-600)2163081-1 |n 8 |p 670 - 673 |t Nature methods |v 16 |y 2019 |x 1548-7105 |
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