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How can computer-aided drug design be utilized to develop new treatments for autoimmune diseases, focusing specifically on the design of small-molecule inhibitors that target key immune system signaling pathways?
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Medicinal Chemistry
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FelipaToombs
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How can computational tools be used in molecular docking studies to identify potential drug molecules that can target specific proteins involved in disease pathways?
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Computational Chemistry
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LibbyPilpel3
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How can computational techniques such as molecular docking be used to identify potential inhibitors of a specific protein-protein interaction involved in a disease process?
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Computational Chemistry
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CrystalMarte
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How can computational techniques be used to predict and optimize the creation of supramolecular complexes for drug delivery applications?
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Computational Chemistry
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How can computational studies of supramolecular chemistry be used to design more efficient drug delivery systems?
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Computational Chemistry
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DominiqueGkr
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How can computational studies of enzyme catalysis help in the development of new drugs for treating diseases?
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Computational Chemistry
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Julio140610
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510
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How can computational studies help in predicting the formation and stability of supramolecular complexes in solution?
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Computational Chemistry
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AbrahamMaruf
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550
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How can computational studies help in predicting and designing the self-assembly of supramolecular structures?
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Computational Chemistry
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SheldonValla
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310
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How can computational studies be used to predict the effects of mutations in active site residues on enzyme catalysis?
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Computational Chemistry
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EarleFrost99
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410
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How can computational studies be used to predict and analyze the self-assembly behavior of supramolecular structures and their properties, such as stability and reactivity?
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Computational Chemistry
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FelipaWkg505
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How can computational studies be used to predict and analyze the non-covalent interactions between molecules in supramolecular chemistry systems?
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Computational Chemistry
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GlennaPark6
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How can computational studies be used to optimize the performance of metal-organic frameworks in gas storage and separation applications?
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Computational Chemistry
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FlorineMmj33
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610
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How can computational methods in quantum chemistry be used to predict the catalytic activity and selectivity of a particular catalyst for a specific chemical reaction?
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Quantum Chemistry
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NealWooldrid
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610
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How can computational methods be utilized to predict and optimize the adsorption properties of metal-organic frameworks for the efficient removal of carbon dioxide from flue gas?
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Computational Chemistry
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EbonyLeeson
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510
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How can computational methods be used to predict the properties of metal-organic frameworks, and what are the most promising applications of these materials in the field of catalysis?
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Computational Chemistry
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CheriMartz3
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290
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How can computational methods be used to predict the formation and stability of supramolecular complexes between different organic molecules?
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Computational Chemistry
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VictorVanmet
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410
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How can computational methods be used to predict the catalytic activity and selectivity of a particular catalyst for a given chemical reaction in quantum chemistry?
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Quantum Chemistry
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SPZSonia7388
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How can computational methods be used to design and predict the properties of supramolecular assemblies formed by organic molecules?
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Computational Chemistry
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IndianaFerri
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430
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How can computational chemistry tools be used to identify novel inhibitors for specific protein-protein interactions involved in a certain disease pathway? Specifically, using molecular docking studies, can the interactions between the two proteins be analyzed and potential small molecule inhibitors be identified and characterized for their efficacy and specificity?
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Computational Chemistry
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MarciaKentis
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430
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How can computational chemistry be used to study protein-protein interactions and lead to the discovery of potential inhibitors for disease-related interactions? Specifically, can molecular docking studies be used to predict the binding affinity and selectivity of a small molecule inhibitor to a protein-protein interface involved in a particular disease pathway?
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Computational Chemistry
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VernitaHolid
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410
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