Augmented ant colony algorithm for virtual drug discovery

DOI10.1007/S10910-023-01549-6MaRDI QIDQ6144537zbMATH OpenOpenAlexFDO

Authors Luca Donati, Konstantin Fackeldey, Marcus Weber

Publication date 29 January 2024

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Copyright license Creative Commons Attribution 4.0 International

Full work available at URL https://doi.org/10.1007/s10910-023-01549-6

zbMATH Keywords

ant colony algorithmdocking problemglobal optimizationligandreceptor

Mathematics Subject Classification ID

Approximation methods and heuristics in mathematical programming (90C59) Biochemistry, molecular biology (92C40)

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Cites work

• A Simplex Method for Function Minimization
• A uniqueness theorem of molecular recognition
• Effect of dimensionality on the Nelder–Mead simplex method
• Shape-similarity relations based on topological resolution

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