Global ETD Search

Computational Investigations of Cellular Functions: Three Cases on Membrane Morphogenesis, Organization and Assembly of a Multi-Protein Complex, and the Molecular Origin of Muscle Elasticity

Hsin, Ya-ChiehUniversity of Illinois at Urbana-Champaign2015

… chain. Through simulations employing equilibrium molecular dynamics, steered molecular dynamics, and free-energy calculations, the mechanical properties of a six-Ig domain of titin (I65-I70), for which a crystallographic structure is available, were investigated. The results reveal a soft tertiary …

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Refinement of the Docking Component of Virtual Screening for PPAR

Lewis, Stephanie N.Virginia Tech2013

… available T2D treatments. The computational molecular modeling methods used include molecular docking, molecular dynamics, steered molecular dynamics, and structure- and ligand-based pharmacophore modeling. Potential binders identified in the computational component funnel into wet-lab …

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Computational investigations of cellular functions: Three cases on membrane morphogenesis, organization and assembly of a multi-protein complex, and the molecular origin of muscle elasticity

Hsin, Ya-ChiehUniversity of Illinois at Urbana-Champaign2010

… assembly of a multi-protein complex, and the molecular origin of elasticity in muscle protein. In the photosynthetic purple bacterium Rhodobacter (Rba.) sphaeroides, light is absorbed by membrane-bound light-harvesting proteins LH1 and LH2. LH1 directly surrounds the reaction center (RC) and, …

uiuc Repository record for Computational investigations of cellular functions: Three cases on membrane morphogenesis, organization and assembly of a multi-protein complex, and the molecular origin of muscle elasticity (opens in a new tab)

Investigating Secondary Structure Features of YAP1 Protein Fragments Using Molecular Dynamics (MD) and Steered Molecular Dynamics (SMD) Simulations

Guinto, Ferdiemar Cardenas, Jr.

u-pacific Repository record for Investigating Secondary Structure Features of YAP1 Protein Fragments Using Molecular Dynamics (MD) and Steered Molecular Dynamics (SMD) Simulations (opens in a new tab)