Essays about: "de novo design"
Showing result 1 - 5 of 8 essays containing the words de novo design.
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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 bioinformatikAbstract : 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
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2. In silico design of small molecular libraries via Reinforcement learning
University essay from Uppsala universitet/Institutionen för farmaceutisk biovetenskapAbstract : During the last decade, there is an increasing interest in applying deep learning in de novo drug design. In this thesis, a tool is developed to address the specific needs for generating small library for lead optimization. The optimization of small molecules is conducted given an input scaffold with defined attachment points. READ MORE
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3. The kinetic characterization of mutated cyanobacterial dual-functioning fructose/sedoheptulose bisphosphate using a malachite green colorimetric assay
University essay from Lunds universitet/Teknisk mikrobiologiAbstract : The increased human dependence on fossil-based fuels, industrial chemicals, and structural materials has caused a drastic increase in atmospheric CO2 levels during the past 50 years. Consequences of this have been observed in the disruption of terrestrial and aquatic ecosystems. READ MORE
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4. Synthesis of novel PfDHODH inhibitors based on 4-aminocoumarin structures
University essay from Lunds universitet/Kemiska institutionenAbstract : Malaria is an infectious disease caused by the protozoan of the genus Plasmodium. It is a major problem in third-world countries, with hundreds of millions of infections and millions of fatalities annually. The extreme challenge in malaria management is the resistance of parasites to traditional chemotherapies like chloroquine and artemisinin. READ MORE
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5. Cofactor synthesis for bio-inspired de novo design of solar-energy harvesting protein domains
University essay from KTH/Skolan för bioteknologi (BIO)Abstract : The world's population is rapidly increasing and so is the demand for energy. Problems with increased CO2 production and global warming makes the need for clean and cheap energy one of the most important challenges facing the future human society. READ MORE
