scientific article; zbMATH DE number 7559034

DOI10.4230/LIPICS.WABI.2018.16zbMATH Open1494.92169MaRDI QIDQ5090348FDOQ5090348

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

Publication date: 18 July 2022

Title of this publication is not available (Why is that?)

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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)

Cites Work

• Title not available (Why is that?)
• Title not available (Why is that?)
• On the histogram as a density estimator:L 2 theory
• Exact methods for the knapsack problem and its generalizations
• Programming languages and systems in computational economics and finance.

Cited In (2)

• charge_assign
• Computing Bond Types in Molecule Graphs

Uses Software

• COIN-OR
• ZINC
• ATB

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