Essays about: "in silico prediction"

Showing result 1 - 5 of 15 essays containing the words in silico prediction.

  1. 1. Design and Evaluation of Peptide Binders : In silico evaluation and comparison of generative AI for de novo peptide binder design

    University essay from Uppsala universitet/Beräkningsbiologi och bioinformatik

    Author : Linde Brokmar; [2023]
    Keywords : Protein design; de novo design; protein engineering; generative ai; machine learning; peptide binders; AF2; EvoBind; RFdiffusion; ProteinMPNN;

    Abstract : Peptide binders are short proteins that bind to larger proteins. Due to peptide binders having high specificity and being cheap to synthesize, they are a prime candidate for drug design. Creating new proteins in silico can be divided into three steps: protein backbone generation, sequence design, and computational filtering. READ MORE

  3. 2. Deep learning for temporal super-resolution of 4D Flow MRI

    University essay from KTH/Matematik (Avd.)

    Author : Pia Callmer; [2023]
    Keywords : Temporal super-resolution; 4D Flow MRI; CNN; Artificial Intelligence; MRI; 4D flow; Temporal superupplösning; 4D flöde MRI; CNN; artificiell intelligens; MRI; 4D-flöde;

    Abstract : The accurate assessment of hemodynamics and its parameters play an important role when diagnosing cardiovascular diseases. In this context, 4D Flow Magnetic Resonance Imaging (4D Flow MRI) is a non-invasive measurement technique that facilitates hemodynamic parameter assessment as well as quantitative and qualitative analysis of three-directional flow over time. READ MORE

  4. 3. Sublimation temperature prediction of OLED materials : using machine learning

    University essay from Uppsala universitet/Analys och partiella differentialekvationer

    Author : Niklas Norinder; [2023]
    Keywords : Semiconductors; OLED; machine learning; vapor deposition; sublimation; molecular property prediction; regression; ensemble learning; deep learning;

    Abstract : Organic light-emitting diodes (OLED) are and have been the future of display technology for a minute. Looking back, display technology has moved from cathode-ray tube displays (CRTs) to liquid crystal displays (LCDs). Whereas CRT displays were clunky and had quite high powerconsumption, LCDs were thinner, lighter and consumed less energy. READ MORE

  5. 4. Binuclear zinc transcription factors and the regulation of patulin biosynthesis in the filamentous Ascomycete Penicillium expansum

    University essay from Lunds universitet/Bioteknik (master)

    Author : Robert Hansen Jagrelius; [2021]
    Keywords : secondary fungal metabolism; penicillium expansum; patulin; binuclear zinc transcription factors; dimerization; deepcoil; Biology and Life Sciences;

    Abstract : This thesis investigated the regulation of patulin production in Penicillium expansum in relation to fungal global regulators as well as the cluster-specific binuclear zinc transcription factor (BZTF) patL in silico. It also explored the state of BZTF research in filamentous ascomycetes fungi, and questioned if results in Saccharomyces cerevisiae can be freely translated to other taxonomic groups. READ MORE

  6. 5. Polypharmacy Side Effect Prediction with Graph Convolutional Neural Network based on Heterogeneous Structural and Biological Data

    University essay from KTH/Numerisk analys, NA

    Author : Juan Sebastian Diaz Boada; [2020]
    Keywords : Deep learning; graph convolutional network; algorithmic complexity; polypharmacy side effects; Djupinlärning; grafiska faltningsnätverken; algoritmisk komplexitet; polyfarmaci biverkningar;

    Abstract : The prediction of polypharmacy side effects is crucial to reduce the mortality and morbidity of patients suffering from complex diseases. However, its experimental prediction is unfeasible due to the many possible drug combinations, leaving in silico tools as the most promising way of addressing this problem. READ MORE