Protein-ligand docking based on beta-shape

DOI10.1007/978-3-642-16007-3_6MaRDI QIDQ3052762zbMATH OpenOpenAlexFDO

Authors Chongmin Kim, Chungin Won, Jae Kwan Kim, Joonghyun Ryu, Jong Bhak, D.-S. Kim

Publication date 2 November 2010

Published in Transactions on Computational Science IX (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-642-16007-3_6

zbMATH Keywords

assignment problembeta-complexbeta-shapeBetaDockdockingoptimizationquasi-triangulationVoronoi diagram of spheres

Mathematics Subject Classification ID

Computer graphics; computational geometry (digital and algorithmic aspects) (68U05) Protein sequences, DNA sequences (92D20)

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Cited in

(9)

• On the definition and the construction of pockets in macromolecules
• Toward the fast blind docking of a peptide to a target protein by using a four-body statistical pseudo-potential
• Performance of protein-ligand docking with CDK4/6 inhibitors: a case study
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Describes a project that uses

Uses Software

• AutoDock
• AutoDock Vina

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