A novel conformation optimization model and algorithm for structure-based drug design

DOI10.1007/S10910-008-9454-8zbMATH Open1165.92014OpenAlexW2044065341MaRDI QIDQ1028034FDOQ1028034

Authors: Ling Kang, Honglin Li, Hualiang Jiang, Xicheng Wang, Xiaoyu Zhao 

Publication date: 30 June 2009

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

Full work available at URL: https://doi.org/10.1007/s10910-008-9454-8

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zbMATH Keywords

genetic algorithminformation entropymolecular dockingmulti-scale optimization modelresidue groups

Mathematics Subject Classification ID

Medical applications (general) (92C50) Approximation methods and heuristics in mathematical programming (90C59) Biochemistry, molecular biology (92C40)

Cites Work

• Title not available (Why is that?)

Cited In (6)

• Augmented ant colony algorithm for virtual drug discovery
• A combination of numeric genetic algorithm and tabu search can be applied to molecular docking
• Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors
• Global optimization of protein-peptide docking by a filling function method
• A tree-structured covalent-Bond-driven molecular memetic algorithm for optimization of ring-deficient molecules
• Random drift particle swarm optimisation algorithm for highly flexible protein-ligand docking

Uses Software

• SYBYL

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