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 3 of 3 for “"mmpbsa"”.
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Ensemble methods in computational protein and ligand design : applications to the Fc[gamma] immunoglobulin, HIV-1 protease, and ketol-acid reductoisomerase systems
… mechanics, Poisson-Boltzmann surface area (MMPBSA) models. We assess the role IgG1 linked glycans play in binding to human Fc[gamma]-III and computationally evaluate experimentally designed Fe mutations that recover binding affinity in the absence of glycosylation. Using the insight gained …
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A computational approach for identification and development of novel inhibitors targeting viral polymerases
… binding of ligands into the binding pocket (ex MMPBSA) and algorithms to study rare events (for ex. binding and unbinding of ligand from the binding site, Metadynamics) to explore, at microscopic level, the key pattern of interaction between protein and ligand, to understand the effect of …
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Evolution and dynamic behavior of transfer RNA in the first two steps of translation
In protein synthesis, a key component of the cellular machinery is transfer RNA (tRNA). This small nucleic acid is crucial to the maintenance of the genetic code because it discriminately binds the messenger RNA codon at the ribosome and adds the cognate amino acid to the growing polypeptide chain. …