Sökning: "Jarl Wikberg"

Visar resultat 1 - 5 av 8 avhandlingar innehållade orden Jarl Wikberg.

1. 1. Ligand-based Methods for Data Management and Modelling

   Författare :Jonathan Alvarsson; Jarl E. S. Wikberg; Ola Spjuth; Claes Andersson; Martin Eklund; John P. Overington; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; QSAR; ligand-based drug discovery; bioclipse; information system; cheminformatics; bioinformatics; Farmaceutisk farmakologi; Pharmaceutical Pharmacology; Bioinformatik; Bioinformatics;

   Sammanfattning : Drug discovery is a complicated and expensive process in the billion dollar range. One way of making the drug development process more efficient is better information handling, modelling and visualisation. The majority of todays drugs are small molecules, which interact with drug targets to cause an effect. LÄS MER

3. 2. eScience Approaches to Model Selection and Assessment : Applications in Bioinformatics

   Författare :Martin Eklund; Jarl Wikberg; Ron Wehrens; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; bioinformatics; high-throughout biology; eScience; model selection; model assessment; Bioinformatics; Bioinformatik;

   Sammanfattning : High-throughput experimental methods, such as DNA and protein microarrays, have become ubiquitous and indispensable tools in biology and biomedicine, and the number of high-throughput technologies is constantly increasing. They provide the power to measure thousands of properties of a biological system in a single experiment and have the potential to revolutionize our understanding of biology and medicine. LÄS MER

4. 3. Studies of Retroviral Reverse Transcriptase and Flaviviral Protease Enzymes as Antiviral Drug Targets : Applications in Antiviral Drug Discovery & Therapy

   Författare :Muhammad Junaid; Jarl ES Wikberg; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Virus; enzymes; HIV AIDS; retroviral reverse transcriptase; flaviviral protease; NRTIs; proteochemometrics; drug resistance; DEN; JEV; NS2B H -NS3pro; antiviral; drug targets; drug discovery; drug therapy.; Farmakologi; Pharmacology;

   Sammanfattning : Viruses are a major threat to humans due to their unique adaptability, evolvability and  capability to control their hosts as parasites and genetic elements. HIV/AIDS is the third largest cause of death by infectious diseases in the world, and drug resistance due to the viral mutations is still the leading cause of treatment failure. LÄS MER

5. 4. Modeling the Interaction Space of Biological Macromolecules: A Proteochemometric Approach : Applications for Drug Discovery and Development

   Författare :Aleksejs Kontijevskis; Jarl Wikberg; Jan Komorowski; Robert Glen; Uppsala universitet; []
   Nyckelord :Bioinformatics; proteochemometrics; bioinformatics; chemoinformatics; chemical space; QSAR; retroviral proteases; HIV-1; drug resistance; pharmacogenomics; cytochrome P450; GPCRs; melanocortin receptors; interactome; machine-learning; rough sets; Bioinformatik;

   Sammanfattning : Molecular interactions lie at the heart of myriad biological processes. Knowledge of molecular recognition processes and the ability to model and predict interactions of any biological molecule to any chemical compound are the key for better understanding of cell functions and discovery of more efficacious medicines. LÄS MER

7. 5. Development of Proteochemometrics—A New Approach for Analysis of Protein-Ligand Interactions

   Författare :Maris Lapins; Jarl Wikberg; Johan Gottfries; Uppsala universitet; []
   Nyckelord :Pharmaceutical pharmacology; chemometrics; QSAR; G-protein coupled receptors; Melanocortin receptors; protein-ligand interactions; Farmaceutisk farmakologi;

   Sammanfattning : A new approach to analysis of protein-ligand interactions, termed proteochemometrics, has been developed. Contrary to traditional quantitative structure-activity relationship (QSAR) methods that aim to correlate a description of ligands to their interactions with one particular target protein, proteochemometrics considers many targets simultaneously. LÄS MER