Search results | J. Murrey Atkins Library

Title: ELUCIDATING FUNCTIONAL MECHANISMS IN PROTEINS USING THE DISTANCE CONSTRAINT MODEL
Author: Singer, Christopher
Date Created: 2019
Subjects--Topical: Bioinformatics, Biophysics, Physics
Description: Protein thermodynamics has been shown to be insightful and illuminating to the functional mechanisms behind biological function. By characterizing proteins and protein families according to their enthalpy and entropy we can make inferences to the ...

Title: ESSENTIAL DYNAMICS OF PROTEINS USING GEOMETRICAL SIMULATIONS AND SUBSPACE ANALYSIS
Author: David, Charles
Date Created: 2012
Subjects--Topical: Physics, Bioinformatics, Biophysics
Description: Essential dynamics is the application of principal component analysis to a dynamic trajectory derived from a simulation protocol in order to extract biologically relevant information contained in the high dimensional data. In this work, we apply t...

Title: Functional Dynamics in Beta-Lactamase: Insights into Substrate Recognition and Inhibition
Author: Avery, Christopher
Date Created: 2023
Subjects--Topical: Bioinformatics, Biophysics, Physics
Description: Beta-lactamase proteins are among the most prominent causes of antibiotic resistance. These enzymes confer resistance to beta lactam antibiotics, which are commonly used to treat bacterial infections. In recent years, novel beta-lactamase have eme...

Title: Hybrid solvation models for electrostatic interactions in molecular dynamics simulations of ionic solvent
Author: Xiang, Ming
Date Created: 2012
Subjects--Topical: Mathematics, Biochemistry, Biophysics
Description: In this dissertation, we mainly discuss the image approximation methods to the reaction field and their applications to electrostatic interactions in molecular dynamics simulations. The Poisson-Boltzman (PB) equation, a three-dimensional second or...

Title: MODELING, SIMULATION AND ANALYSIS OF THE REACTION FIELD FOR ELECTROSTATIC INTERACTIONS IN AQUEOUS SOLUTION
Author: SONG, WEI
Date Created: 2013
Subjects--Topical: Computer science, Bioinformatics, Biophysics
Description: How to deal with the long-range electrostatic interactions theoretically and computationally has been well studied due to their importance in biological processes and time consuming summations in computer simulations. The main focus of our researc...

Title: New Algorithms for Protein Structure Analysis: From Nonparametric Density Estimation to Characterization of Molecular Volume Spatial Distributions
Author: Farmer, Jenny
Date Created: 2018
Subjects--Topical: Bioinformatics, Biophysics, Physics
Description: The Flexibility and Stability Test (FAST) is a C++ class library designed in the early 2000’s to execute free energy decomposition and reconstitution operations applied to protein structures. The library has been substantially expanded to include ...

Title: REGULATION OF ACTOMYOSIN ATPASE
Author: Ge, Jinghua
Date Created: 2016
Subjects--Topical: Optics, Physics, Biophysics
Description: Myosin is a molecular motor that converts chemical energy to mechanical energy, thus generating force and movement in muscles and cells. Myosin interacts with two ligands, ATP (fuel) and actin filaments (motor’s tracks). Actomyosin interaction is ...

Title: Role of Intramolecular Electrostatic Interactions on the Kinetics of Human Cardiac Myosin β-Isoform
Author: Gargey, Akhil
Date Created: 2021
Subjects--Topical: Molecular biology, Biochemistry, Biophysics
Description: Human cardiac myosin has two isoforms, α and β, sharing significant sequence similarity, but different in kinetics. Small differences in the sequence are responsible for distinct local inter-residue interactions within α and β isoforms, leading to...

Title: SUBSURFACE THERMAL COAGULATION OF TISSUES USING NEAR INFRARED LASERS
Author: Chang, Chun-Hung
Date Created: 2017
Subjects--Topical: Optics, Biophysics, Biomedical engineering
Description: Noninvasive laser therapy is currently limited primarily to cosmetic dermatological applications such as skin resurfacing, hair removal, tattoo removal and treatment of vascular birthmarks. In order to expand applications of noninvasive laser ther...

Title: THE EFFECT OF TARGET SECONDARY STRUCTURE ON MICROARRAY DATA QUALITY
Author: Ratushna, Vladyslava
Date Created: 2010
Subjects--Topical: Bioinformatics, Biophysics
Description: DNA microarrays have become an invaluable high throughput biotechnology method, which allows a parallel investigation of thousands of cellular events in a single experiment. The principle behind the technology is very simple: fluorescently labeled...

Title: UNDERSTANDING BIAS IN NEXT-GENERATION SEQUENCING TECHNOLOGIES AND ANALYSES
Author: Price, Adam
Date Created: 2017
Subjects--Topical: Biology, Bioinformatics, Biophysics
Description: The problem of bias resulting from biological and technological sources is one that must be consistently reexamined alongside the development of new technologies and methods of analysis. This dissertation addresses the complexities of bias identif...