Sökning: "läkemedelsutveckling"

Visar resultat 1 - 5 av 28 uppsatser innehållade ordet läkemedelsutveckling.

  1. 1. Predicting morphological effect of compounds on COVID-19 infected cells

    Uppsats för yrkesexamina på avancerad nivå, Uppsala universitet/Läkemedelsdesign och läkemedelsutveckling

    Författare :Viktor Öhrner; [2023]
    Nyckelord :QSAR; ML; AI; bioinformatics; COVID-19; morphological profiles;

    Sammanfattning : The cost of developing new drugs is high and the aim of computer-assisted drug discovery is to reduce that development cost, either through virtual screening or generating novel compounds. System biology is one approach to drug discovery where the response of a biological system is the subject of study, instead of drug target interaction. LÄS MER

  3. 2. Accelerating a Molecular Docking Application by Leveraging Modern Heterogeneous Computing Systems

    Master-uppsats, KTH/Skolan för elektroteknik och datavetenskap (EECS)

    Författare :Gabin Schieffer; [2023]
    Nyckelord :Molecular docking; AutoDock; GPU; Tensor Core; Drug Discovery; Molekylär dockning; AutoDock; GPU; Tensor Core; Läkemedelsutveckling;

    Sammanfattning : In drug development, molecular docking methods aim at characterizing the binding of a drug-like molecule to a protein. In a typical drug development process, a docking task is repeated millions of time, which makes optimization efforts essential. LÄS MER

  4. 3. Drug Design of β-Lactamase Inhibitors of the DBO-scaffold against OXA-48 : A Molecular Dynamics Study of Ligand Stability in the Michaelis Complex

    Uppsats för yrkesexamina på avancerad nivå, Uppsala universitet/Läkemedelsdesign och läkemedelsutveckling

    Författare :Linda Liljeholm; [2022]
    Nyckelord :OXA-48; β-lactamase; DBO inhibitors; diazabicyclooctane; avibactam; relebactam; β-lactamase inhibitor; BLI; molecular dynamics; LIE; Linear Interaction Energy; antibiotic resistance; drug design;

    Sammanfattning : The emergence of β-lactamase-mediated antibiotic resistance is one of the biggest threats in modern times. Combined with the discovery void of new forms of antibiotics, this sets the course toward a future where the efficacy of present-day health care will be jeopardized. LÄS MER

  5. 4. Assessing the Feasibility of Integrating Swedish Healthcare Data into Pharmaceutical Research and Development

    Master-uppsats, KTH/Skolan för kemi, bioteknologi och hälsa (CBH)

    Författare :Minha Choi; [2022]
    Nyckelord :real-world data; real-world evidence; quality registry; new drug development; data feasibility;

    Sammanfattning : Today, Real World Data (RWD) is a popular topic in many studies. In particular, it is anticipated to be a significant resource for addressing issues brought on by drug development costs, lengthy development times, and safety concerns. LÄS MER

  7. 5. Reliable graph predictions : Conformal prediction for Graph Neural Networks

    Master-uppsats, KTH/Skolan för elektroteknik och datavetenskap (EECS)

    Författare :Albin Bååw; [2022]
    Nyckelord :Conformal prediction; Graph Neural Networks; Dynamic graphs; Distribution shift; Coverage gap; Konform prediktion; Neurala Nätverk för Grafer; Dynamiska grafer; Distributionsförändring; täckningsgap;

    Sammanfattning : We have seen a rapid increase in the development of deep learning algorithms in recent decades. However, while these algorithms have unlocked new business areas and led to great development in many fields, they are usually limited to Euclidean data. LÄS MER