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Molecular Replacement for Nuclear Magnetic Resonance: application to NMR resonance assignment and protein structure determination.

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Call No.	Ph.D. 2003
Author	Langmead, Christopher James
Title	Molecular Replacement for Nuclear Magnetic Resonance: application to NMR resonance assignment and protein structure determination.
Date	2003
Abstract	Our aim is to enhance high-throughput applications of Nuclear Magnetic Resonance (NMR) through the development of efficient computational methods that operate on sparse (minimal) sets of experimental NMR data. We have developed a family of four algorithms for correlating sparse NMR data to 3D structural models in a probabilistic framework. The first two algorithms, Nuclear Vector Replacement (NVR) and NVR via Expectation/Maximation (NVREM), perform automated backbone resonance assignment. The GD and HD algorithms perform 3D Structural homology detection. Our algorithms are computationally efficient, accurate, and require far less experimental data than related methods, making them good candidates for high-throughput applications of NMR.
Description	1 online resource (xii, 180 leaves) : illustrations (some color)
Format	application/pdf
Advisor	Donald, Bruce Randall
Subject	Nuclear magnetic resonance spectroscopy -- Data processing. ; Proteins -- Analysis -- Mathematical models. ; Computer algorithms.
College	Dartmouth College -- Department of Computer Science.
Issuing Body	Dartmouth Dissertations are made available through the Dartmouth Digital Library.
Degree	Thesis (Ph.D)--Dartmouth College.
Copyright	In Copyright. This material is protected by copyright and/or related rights. You are free to use this material in any way that is permitted by copyright law that applies to your use. For other uses, you need to obtain permission from the rights-holder(s). http://rightsstatements.org/page/InC/1.0/
DOI	https://doi.org/10.1349/ddlp.3208

Title	langmead2003 1
Full Text	Molecular Replacement for Nuclear Magnetic Resonance: Application to NMR Resonance Assignment and Protein Structure Determination A Thesis Submitted to the Faculty in partial fulfillment of the requirements for the degree of Doctor of Philosophy in Computer Science by Christopher James Langmead DARTMOUTH COLLEGE Hanover, New Hampshire December 2003

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Molecular Replacement for Nuclear Magnetic Resonance: application to NMR resonance assignment and protein structure determination.

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