Applicability and performance of linear interaction energy based binding affinity calculation

E.A. Rifai

Research output: PhD ThesisPhD Thesis - Research VU Amsterdam, graduation VU Amsterdam

437 Downloads (Pure)
Original languageEnglish
QualificationPhD
Awarding Institution
  • Vrije Universiteit Amsterdam
Supervisors/Advisors
  • Vermeulen, Nico P.E., Supervisor
  • Geerke, Daan, Co-supervisor
Award date12 Dec 2019
Publication statusPublished - 2019

Keywords

  • binding affinity calculation
  • molecular dynamics simulation
  • linear interaction energy
  • applicability domain
  • reliability estimation

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