Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 5 of 5 for “"Charge Optimization"”.
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Biomolecular ligand design : enhancing binding affinity and specificity utilizing electrostatic charge optimization and packing techniques
… developed. These methods involve electrostatic charge optimization techniques and packing considerations. First, a detailed investigation of a transition state analog (TSA) binding to the E. coli chorismate mutase enzyme was performed. This study included an electrostatic component analysis of …
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Refrigerant charge reduction in small commercial refrigeration systems
… refrigerant inventory and numerical results of charge reduction in a typical bottle cooler. The original unit was first characterized by determining its capacity, the coefficient of performance (COP), pull-down characteristics, and total charge using non-intrusive instrumentation. Then the unit …
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Computational structure-based modeling and analysis with application to rational and evolutionary molecular engineering
… inhibitors was used to demonstrate that charge optimization improves the electrostatic component of the binding free energy, despite changes in binding mode and discrete chemical constraints. Additionally, chemical changes suggested by charge optimization frequently corresponded to …
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Computational ligand design and analysis in protein complexes using inverse methods, combinatorial search, and accurate solvation modeling
… tests. Inverse protein design methods and charge optimization were also applied to improve the binding affinity of a substrate peptide for an inactivated mutant of HIV-1 protease, in an effort to learn more about the thermodynamics and mechanisms of peptide binding. A single mutant peptide …
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Experimental investigation of factors influencing seasonal performance of water-cooled chiller and heat pump
Submission published under a 24 month embargo labeled 'U of I Access', the embargo will last until 2026-05-01