HIGHLIGHTS
- who: George A., Pantelopulos and u00b6, from the National Institute Boston University have published the article: MolPainter: A Tool for Painting and Solvating Layered Molecular Systems, in the Journal: (JOURNAL)
SUMMARY
Statement of Need Complexity in systems investigated using molecular dynamics (MD) and similar simulation methods employing MD force_fields is increasing in terms of composition, initial condition, and system size. Due to limitations in time scales accessible even in highly coarse-grained force_fields, careful selection of molecular composition and initial positions in complex systems is essential to designing useful simulations. With current tools . . .
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