Computational Modelling of Ligand Complexes with G-Protein Coupled Receptors, Ion Channels and Enzymes

Computational Modelling of Ligand Complexes with G-Protein Coupled Receptors, Ion Channels and Enzymes

Accurate predictions of binding free energies from computer simulations are an invaluable resource for understanding biochemical processes and drug action. The primary aim of the work described in the thesis was to predict and understand ligand binding to several proteins of major pharmaceutical imp...

Full description

Bibliographic Details
Main Author: Boukharta, Lars
Format: Doctoral Thesis
Language:English
Published: Uppsala universitet, Beräknings- och systembiologi 2014
Subjects:
computer simulations
molecular dynamics
ligand binding
free energy perturbation
linear interaction energy
binding free energy
homology modelling
structure prediction
alanine scanning
site-directed mutagenesis
hERG
GPCR
neuropeptide Y
HIV-1 reverse transcriptase
integron integrase
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-212103
http://nbn-resolving.de/urn:isbn:978-91-554-8823-9

Internet

http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-212103
http://nbn-resolving.de/urn:isbn:978-91-554-8823-9

Similar Items