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Computational Studies of Protein Structure

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서명/저자사항Computational Studies of Protein Structure.
개인저자Gaines, Jennifer Christine.
단체저자명Yale University.
발행사항[S.l.]: Yale University., 2018.
발행사항Ann Arbor: ProQuest Dissertations & Theses, 2018.
형태사항101 p.
기본자료 저록Dissertation Abstracts International 79-11B(E).
Dissertation Abstract International
ISBN9780438193505
학위논문주기Thesis (Ph.D.)--Yale University, 2018.
일반주기 Source: Dissertation Abstracts International, Volume: 79-11(E), Section: B.
Adviser: Corey S. O'Hern.
요약Although much is known about the experimentally measurable properties of individual proteins, we do not have a solid understanding of the universal properties that control protein structure and stability. The amount of protein crystal structure
요약My work, building on prior protein structural studies, uses the new plethora of protein crystal structure data to develop a deeper understanding of the physical properties of proteins. I focus on using an atomistic model of proteins, involving s
요약This dissertation presents three related computational studies of the properties of protein structures. In the first study, I present an analysis of the packing fraction of protein cores. I show that protein cores are composed of random close pa
요약I then take a more detailed look at protein cores to quantify the amount of side chain dihedral angle movement possible in the core. To do this, I apply a hard-sphere model with stereochemical constraints to rotate the side chain dihedral angles
요약Finally, I expand both of these studies to two other protein types: protein-protein interfaces and transmembrane proteins. For both datasets, I investigate the packing fraction and side chain predictability of both core and solvent exposed amino
요약This thesis work challenges the commonly accepted properties of protein structure, in particular that proteins have a high packing fraction similar to crystalline packing of spheres and that transmembrane proteins are fundamentally different fro
일반주제명Bioinformatics.
Biophysics.
Computational physics.
언어영어
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