Sökning: "Bound docking"

Hittade 4 uppsatser innehållade orden Bound docking.

1. 1. Characterisation of Potential Inhibitors of Calmodulin from Plasmodium falciparum

   Kandidat-uppsats, Linköpings universitet/Institutionen för fysik, kemi och biologi

   Författare :Alexandra Iversen; Ebba Nordén; Julia Bjers; Filippa Wickström; Martin Zhou; Mohamed Hassan; [2020]
   Nyckelord :Plasmodium falciparum; Calmodulin; Malaria; Trifluoperazine; Calmidazolium; Artemisinin; Fentanyl derivatives; Modelling; Docking; Bioinformatics;

   Sammanfattning : Each year countless lives are affected and about half a million people die from malaria, a disease caused by parasites originating from the Plasmodium family. The most virulent species of the parasite is Plasmodium falciparum (P. falciparum). LÄS MER

3. 2. Protein-Protein Docking Using Starting Points Based On Structural Homology

   Master-uppsats, Linköpings universitet/Bioinformatik

   Författare :Martin Hyvönen; [2015]
   Nyckelord :In silico; Rosetta Dock; Bound docking; PPI; Bioinformatics; InterPred;

   Sammanfattning : Protein-protein interactions build large networks which are essential in understanding complex diseases. Due to limitations of experimental methodology there are problems with large amounts of false negative and positive interactions; and a large gap in the amount of known interactions and structurally determined interactions. LÄS MER

4. 3. Mutational engineering, growth selection, expression, purification and crystallization of ligand bound endo-beta-N-acetylglucosaminidase T (Endo-T) from Hypocrea jecorina

   Magister-uppsats, SLU/Dept. of Molecular Biology (until 131231)

   Författare :Andreas Digre; [2010]
   Nyckelord :Endo-T; Endo-beta-N-acetylglucosaminidase; Deglycosylation; EC 3.2.1.96; Crystallography; Ligand bound structure; High mannose N-glycan; HPAEC-PAD;

   Sammanfattning : Recently, one of the first fungal-expressed, deglycosylating, Endo-beta-N-acetylglucosaminidases was found in the extracellular medium of soft-rot ascomycete Hypocrea jecorina (a.k.a. Trichoderma reesei) belonging to glycoside hydrolase family 18 (GH18). LÄS MER

5. 4. A targeted evaluation of OpenEye’s methods for virtual ligand screens and docking

   Magister-uppsats, Institutionen för kommunikation och information

   Författare :Mikael Lantz; [2005]
   Nyckelord :Drug discovery; ROCS; EON; FRED;

   Sammanfattning : The process of drug discovery is very slow and expensive. There is a need for reliable in silico methods; however the performance of these methods differs. This work presents a targeted study on how the drug discovery methods used in OpenEye’s tools ROCS, EON and FRED perform on targets with small ligands. LÄS MER