Applicability and performance of linear interaction energy based binding affinity calculation

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

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

Cite this

@phdthesis{a841545d5a2a406a861c96ca08bc1acf,
title = "Applicability and performance of linear interaction energy based binding affinity calculation",
keywords = "binding affinity calculation, molecular dynamics simulation, linear interaction energy, applicability domain, reliability estimation",
author = "E.A. Rifai",
year = "2019",
language = "English",
school = "Vrije Universiteit Amsterdam",

}

Applicability and performance of linear interaction energy based binding affinity calculation. / Rifai, E.A.

2019. 183 p.

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

TY - THES

T1 - Applicability and performance of linear interaction energy based binding affinity calculation

AU - Rifai, E.A.

PY - 2019

Y1 - 2019

KW - binding affinity calculation

KW - molecular dynamics simulation

KW - linear interaction energy

KW - applicability domain

KW - reliability estimation

M3 - PhD Thesis - Research VU, graduation VU

ER -