Sökning: "Jonathan Essex"

Hittade 2 avhandlingar innehållade orden Jonathan Essex.

1. 1. Free energy calculations of G protein-coupled receptor modulation : New methods and applications

   Författare :Willem Jespers; Hugo Gutiérrez-de-Terán; Johan Åqvist; Jonathan Essex; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; G protein-coupled receptor; adenosine receptor; molecular dynamics; free energy perturbation; homology modeling; computer simulations; conformational selectivity; binding free energy.; Biology with specialization in Molecular Biotechnology; Biologi med inriktning mot molekylär bioteknik;

   Sammanfattning : G protein-coupled receptors (GPCRs) are membrane proteins that transduce the signals of extracellular ligands, such as hormones, neurotransmitters and metabolites, through an intracellular response via G proteins. They are abundant in human physiology and approximately 34% of the marketed drugs target a GPCR. LÄS MER

3. 2. Binding Free Energy Calculations on Ligand-Receptor Complexes Applied to Malarial Protease Inhibitors

   Författare :Martin Nervall; Johan Åqvist; Jonathan Essex; Uppsala universitet; []
   Nyckelord :Molecular biology; Plasmodium falciparum; plasmepsins; linear interaction energy; docking; HIV1 reverse trancriptase; Molekylärbiologi;

   Sammanfattning : Malaria is a widespread disease caused by parasites of the genus Plasmodium. Each year 500 million clinical cases are reported resulting in over one million casualties. The most lethal species, P. falciparum, accounts for ~90% of the fatal cases and has developed resistance to chloroquine. LÄS MER