Insights into the molecular mechanisms of protein-ligand interactions by molecular docking and molecular dynamics simulation: a case of oligopeptide binding protein

DOI10.1155/2018/3502514zbMath1431.92042OpenAlexW2903318135WikidataQ60918479 ScholiaQ60918479MaRDI QIDQ1728795

Yi Fu, Xiaole Chen, Ji Zhao, Zhiguo Chen

Publication date: 26 February 2019

Published in: Computational \& Mathematical Methods in Medicine (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1155/2018/3502514

zbMATH Keywords

molecular dynamics simulationprotein-ligand interactionsoligopeptide binding protein

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40)

Uses Software

• NAMD
• AutoDock Vina
• DeepVS
• VMD
• DockingApp
• GalaxyDock
• GalaxySite
• SODOCK

Cites Work

• Random drift particle swarm optimization algorithm: convergence analysis and parameter selection
• Random drift particle swarm optimisation algorithm for highly flexible protein-ligand docking
• Minimization by Random Search Techniques

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