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Full-Text Articles in Physical Sciences and Mathematics
On The Conformational Dynamics Of Dna: A Perspective From Molecular Dynamics Simulations, Ning Ma
On The Conformational Dynamics Of Dna: A Perspective From Molecular Dynamics Simulations, Ning Ma
USF Tampa Graduate Theses and Dissertations
The main focus of my dissertation is on the conformational motion of DNA, studied by applying tools from the computational chemistry field. In addition, studies of relative α- and 310 helical stabilities in peptides/mini-proteins, and a molecular flooding study of the retinoid X-receptor as part of a continuing drug design effort are presented. In molecular biology, it has been well known that sequence determines structure, and structure controls function. For proteins or DNA to work properly, the correct configuration is required. Mutations may alter the structure, which can cause malfunction. Non-mutational effects, such as a change in environment may also …
Application And Development Of Computational Methods In Conformational Studies Of Bio-Molecules, Aleksandra Karolak
Application And Development Of Computational Methods In Conformational Studies Of Bio-Molecules, Aleksandra Karolak
USF Tampa Graduate Theses and Dissertations
The work presented in my dissertation focuses on the conformational studies of bio-molecules including proteins and DNA using computational approaches. Conformational changes are important in numerous molecular bioprocesses such as recognition, transcription, replication and repair, etc. Proteins recognize specific DNA sequences and upon binding undergo partial or complete folding or partial unfolding in order to find the optimal conformational fit between molecules involved in the complex. In addition to sequence specific recognition, proteins are able to distinguish between subtle differences in local geometry and flexibility associated with DNA that may further affect their binding affinities. Experimental techniques provide high-resolution details …