Milp-hyperbox classification for structure-based drug design in the discovery of small molecule inhibitors of SIRTUIN6

DOI10.1051/ro/2015042zbMath1335.90063OpenAlexW2322990795MaRDI QIDQ2805500

Fatih Rahim, Mehmet Tardu, Metin Turkay, I. Halil Kavakli

Publication date: 11 May 2016

Published in: RAIRO - Operations Research (Search for Journal in Brave)

Full work available at URL: http://cdm21054.contentdm.oclc.org/cdm/ref/collection/IR/id/1327

zbMATH Keywords

SIRT6MILP-HBstructure-based drug design

Mathematics Subject Classification ID

Chemistry (92E99) Mixed integer programming (90C11) Computational methods for problems pertaining to biology (92-08)

Related Items (1)

Recent Advances in Operations Research in Computational Biology, Bioinformatics and Medicine

Uses Software

• NAMD
• CPLEX
• GAMS
• AutoDock Vina
• PaDEL-Descriptor
• PubChem

Cites Work

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• Additive logistic regression: a statistical view of boosting. (With discussion and a rejoinder by the authors)
• A mixed-integer programming approach to multi-class data classification problem
• The Orderly Colored Longest Path Problem – a survey of applications and new algorithms

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