Search for dissertations about: "de novo drug"
Showing result 1 - 5 of 40 swedish dissertations containing the words de novo drug.
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1. Sequential Decision-Making for Drug Design: Towards closed-loop drug design
Abstract : Drug design is a process of trial and error to design molecules with a desired response toward a biological target, with the ultimate goal of finding a new medication. It is estimated to be up to 10^{60} molecules that are of potential interest as drugs, making it a difficult problem to find suitable molecules. READ MORE
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2. Drug Repositioning for Cancer Treatment : Novel Candidate Identification Strategies
Abstract : Regardless of the enormous investments in cancer research and drug development, the proportion of approved drugs in oncology is low compared to other indications, and new avenues are needed. One attractive approach in this regard is drug repositioning where new uses outside the scope of the original medical indications for existing drugs are identified. READ MORE
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3. Salvage and de novo synthesis of nucleotides in Trypanosoma brucei and mammalian cells
Abstract : All living cells are dependent on nucleic acids for their survival. The genetic information stored in DNA is translated into functional proteins via a messenger molecule, the ribonucleic acid (RNA). Since DNA and RNA can be considered as polymers of nucleotides (NTPs), balanced pools of NTPs are crucial to nucleic acid synthesis and repair. READ MORE
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4. Class I Ribonucleotide Reductases : overall activity regulation, oligomerization, and drug targeting
Abstract : Ribonucleotide reductase (RNR) is a key enzyme in the de novo biosynthesis and homeostatic maintenance of all four DNA building blocks by being able to make deoxyribonucleotides from the corresponding ribonucleotides. It is important for the cell to control the production of a balanced supply of the dNTPs to minimize misincorporations in DNA. READ MORE
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5. Sampling from molecular unnormalized distributions with Deep Generative Models
Abstract : This thesis investigates how Deep Generative Models (DGMs) can address important drug discovery problems involving sampling from unnormalized distributions. It consists of two papers focusing on this challenge’s aspects: molecular design and conformational sampling. READ MORE