{"id":"W2970740744","doi":"10.1038/s41592-019-0506-8","title":"Promoting transparency and reproducibility in enhanced molecular simulations","year":2019,"lang":"en","type":"article","venue":"Nature Methods","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1286,"is_retracted":false,"has_abstract":false,"ca_institutions":"Novelis (Canada)","funders":"Engineering and Physical Sciences Research Council; Lundbeckfonden","keywords":"Transparency (behavior); Reproducibility; Molecular dynamics; Sampling (signal processing); Computer science; Profiling (computer programming); Data science; Nanotechnology; Computational biology; Chemistry; Biology; Materials science; Computational chemistry; Telecommunications; Chromatography; Computer security","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007208511328255314,"score_gpt":0.3456477465606405,"score_spread":0.3384392352323852,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}