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

DOI10.1007/S10910-008-9454-8zbMath1165.92014OpenAlexW2044065341MaRDI QIDQ1028034

Hualiang Jiang, Xicheng Wang, Ling Kang, Honglin Li, Xiao-Yu 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

zbMATH Keywords

genetic algorithminformation entropymolecular dockingmulti-scale optimization modelresidue groups

Mathematics Subject Classification ID

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

Uses Software

• SYBYL

Cites Work

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