Postprocessing of molecular docking poses using binding free energy calculations

類似資料

• Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation
  著者:: Patel, Chirag N., 等
  出版事項: (2020)
• ParaDockS – an open source framework for molecular docking
  著者:: Pippel, Martin, 等
  出版事項: (2012)
• ParaDockS - an open-source framework for molecular docking: implementation of target-class-specific scoring methods
  著者:: Scharfe, Michael, 等
  出版事項: (2013)
• Structure-Based Design, Docking and Binding Free Energy Calculations of A366 Derivatives as Spindlin1 Inhibitors
  著者:: Luise, Chiara, 等
  出版事項: (2021)
• Investigations on Binding Pattern of Kinase Inhibitors with PPARγ: Molecular Docking, Molecular Dynamic Simulations, and Free Energy Calculation Studies
  著者:: Mohit Mazumder, 等
  出版事項: (2017-01-01)