Postprocessing of molecular docking poses using binding free energy calculations

Documenti analoghi

• Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation
  di: Patel, Chirag N., et al.
  Pubblicazione: (2020)
• ParaDockS – an open source framework for molecular docking
  di: Pippel, Martin, et al.
  Pubblicazione: (2012)
• Structure-Based Design, Docking and Binding Free Energy Calculations of A366 Derivatives as Spindlin1 Inhibitors
  di: Luise, Chiara, et al.
  Pubblicazione: (2021)
• ParaDockS - an open-source framework for molecular docking: implementation of target-class-specific scoring methods
  di: Scharfe, Michael, et al.
  Pubblicazione: (2013)
• How To Deal with Multiple Binding Poses in Alchemical Relative Protein–Ligand Binding Free Energy Calculations
  di: Kaus, Joseph W., et al.
  Pubblicazione: (2015)