scientific article; zbMATH DE number 7559034

DOI10.4230/LIPICS.WABI.2018.16MaRDI QIDQ5090348zbMATH OpenFDO

Authors Martin S. Engler, Bertrand Caron, Lourens Veen, Daan P. Geerke, Alan E. Mark, Gunnar W. Klau

Publication date 18 July 2022

zbMATH Keywords

integer linear programmingmolecular dynamics simulationsmultiple-choice knapsackpseudo-polynomial dynamic programmingpartial charge assignment

Mathematics Subject Classification ID

Dynamic programming (90C39) Integer programming (90C10) Computational methods for problems pertaining to biology (92-08) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• scientific article; zbMATH DE number 3639144 (Why is no real title available?)
• scientific article; zbMATH DE number 2107164 (Why is no real title available?)
• Exact methods for the knapsack problem and its generalizations
• On the histogram as a density estimator:L 2 theory
• Programming languages and systems in computational economics and finance.

Cited in

(2)

• charge_assign
• Computing Bond Types in Molecule Graphs

Describes a project that uses

Uses Software

• ATB
• ZINC
• COIN-OR

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