TY  - JOUR
AU  - Capelli, Riccardo
AU  - Carloni, Paolo
AU  - Camilloni, Carlo
AU  - Bonomi, Massimiliano
AU  - Tribello, Gareth
AU  - Bussi, Giovanni
TI  - Promoting transparency and reproducibility in enhanced molecular simulations
JO  - Nature methods
VL  - 16
IS  - 8
SN  - 1548-7105
CY  - London [u.a.]
PB  - Nature Publishing Group
M1  - FZJ-2019-05101
SP  - 670 - 673
PY  - 2019
AB  - 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.
LB  - PUB:(DE-HGF)16
C6  - pmid:31363226
UR  - <Go to ISI:>//WOS:000477857700006
DO  - DOI:10.1038/s41592-019-0506-8
UR  - https://juser.fz-juelich.de/record/865794
ER  -