Crystallographic studies of ligands bound to biological macromolecules (proteins and nucleic acids) represent an important source of information concerning drug-target interactions, providing atomic level insights into the physical chemistry of complex formation between macromolecules and ligands. Of the more than 115,000 entries extant in the Protein Data Bank (PDB) archive,...
Full Text:
. Harris,8 Jorg Hendle,19 Thomas Holder,4 Andrzej Joachimiak,20 GerardJ. Kleywegt,21
(Author list
Crystallographic studies of ligands bound to biological macromolecules (proteins and nucleic acids) represent an important source of information concerning drug-target interactions, providing atomic level insights into the physical chemistry of complex formation between macromolecules and ligands. Of the more than 115,000 entries extant in the Protein Data Bank (PDB) archive,...
Full Text:
, Jorg
Hendle, Thomas Holder, Andrzej Joachimiak, GerardJ. Kleywegt, Tobias Krojer, Joseph
Marcotrigiano
Coordinating multiple robots to achieve a complex task requires solving two distinct control problems: the high-level control problem of ensuring that each robot aims to perform a useful task (e.g., coordination) and the low-level control problem of ensuring that each robot actually performs the correct actions to achieve its task...
Peroxiredoxins (Prxs) are dominant peroxide-reducing enzymes with two important roles: they protect all organisms from oxidative damage induced by peroxides, and in eukaryotes, they participate in hydrogen peroxide signaling pathways. This dissertation presents studies aimed at the biophysical characterization of select Prxs and a Prx reductase to elucidate their structure-function...
Ideal values of bond angles and lengths used as external restraints are crucial for the successful
refinement of protein crystal structures at all but the highest of resolutions. The restraints in
common usage today have been designed based on the assumption that each type of bond or
angle has a...
Tan spot of wheat is an economically significant disease caused by the fungal pathogen, Pyrenophora tritici-repentis. Certain races of the fungus secrete Ptr ToxA (ToxA), a 13.2 kDa proteinaceous host-selective toxin that is responsible and sufficient to cause disease in susceptible wheat varieties. Disease symptoms develop only when the ToxA...
Emerging applications for robotic data collection include ocean monitoring, emergency response and urban search and rescue. At the core of these applications is a robot's ability to make informed decisions on incomplete data. This dissertation addresses this problem by developing novel techniques for modeling and estimating structured environments using deep...
Natural products have long been an important source of resources for humans. Many of these compounds possess unique chemical structures and potent biological properties. By targeting natural products with specific chemical properties, we can gain a better understanding of the roles these compounds play in the environment and their interactions...
Markov Decision Processes (MDPs) are the de-facto formalism for studying sequential decision making problems with uncertainty, ranging from classical problems such as inventory control and path planning, to more complex problems such as reservoir control under rainfall uncertainty and emergency response optimization for fire and medical emergencies. Most prior research...
This dissertation presents an analysis of transportable biomass conversion facility design to evaluate the conceptual and economic viability of a mobile and modular biomass conversion supply chain in the Pacific Northwest, USA. The main goal of this work is to develop a decision support system to more effectively and sustainably...
Life on Earth intimately depends on the function of countless proteins. For the majority of studied proteins, function absolutely depends on conformation (i.e. 3-dimensional shape in solution). The exact nature of how a protein goes from an unfolded linear polypeptide chain to an organized folded molecule is still not known,...
A novel type of model substrates, i.e. immobilized p-aminophenyl-β-D-cellooligosaccharides,
was developed and used in the study of exocellulases. The
two major cellobiohydrolases from Trichoderma reesei, CBH I and CBH II were
used as representative enzymes. p-Aminophenyl derivatives of cellobiose (PAPG₂),
cellotriose (PAPG₃), and cellotetraose (PAPG₄) were synthesized from the reaction...
In a relay network for full truckload (TL) transportation, facilities known as relay points (RPs) serve as exchange points where truck drivers can exchange trailers. This would help carriers to assign more regular tours to drivers when compared to the excessively long tours that exist in the traditional Point-to-Point (PtP)...
This thesis addresses Micro Aerial Vehicle (MAV) control by leveraging learning based techniques to improve robustness of the control system. Applying classical control methods to MAVs is a difficult process due to the complexity of the control laws with fast and highly non-linear dynamics. These methods are mostly based on...
This thesis includes three studies involving different aspects of modeling protein structure. The first study illustrates the levels of insight available from atomic-resolution protein structures. The second study derives general trends of protein geometry from atomic-resolution structures and shows their implications for modeling. The third study creates a model of...
The use of autonomous robots in complex exploration tasks is rapidly increasing. Indeed, robots can provide speed and cost effectiveness in many tasks, as well as allow operation in environments that are hostile to humans. In this dissertation we: 1) provide two adaptive navigation algorithms; 2) develop a coordination mechanism;...
A blood supply chain (BSC) deals with the collection, processing, storing, and distribution of blood collected from donors and delivered to patients at demand points (DPs) through a network of several temporary mobile blood units (MBUs) and permanent local blood centers (LBCs). In general, the strategic and tactical design of...
Crystallographic studies of ligands bound to biological macromolecules (proteins and nucleic acids) represent an important source of information concerning drug-target interactions, providing atomic level insights into the physical chemistry of complex formation between macromolecules and ligands. Of the more than 115,000 entries extant in the Protein Data Bank (PDB) archive,...
Cellooligosaccharides are the reaction intermediates produced during the hydrolysis of cellulose to glucose. Hence, they have the same chemical structure as cellulose, just shorter chain lengths. Cellooligosaccharides up to DP eight are soluble in water. The soluble cellooligosaccharides can be used "as is" in the food industry as non-digestible oligosaccharides...
The primary purpose of this study was to (1) develop methods for the analysis of and (2) provide information on the chemical nature of reducing ends in typical cellulose substrates used for the study of cellulolytic enzymes. The studies were designed such that values obtained for cellulose substrates were compared...
Four-stranded DNA junctions (also known as Holliday junctions) are structural intermediates involved in a growing number of biological processes including DNA repair, genetic recombination, and viral integration. Although previous studies have focused on understanding the conformational variability and sequence-dependent formation of Holliday junctions in solution there have been relatively few...
DNA methylation is common in prokaryotes and eukaryotes and has been implicated in various biological roles including gene silencing, X-chromosome inactivation, and genomic imprinting. 5-methylcytosine the "fifth base" of the genetic code comprises 1-3% of the human genome and is primarily found on cytosines within the context of the CpG...
Lignocellulosic biomass represents a vast supply of fermentable carbohydrates and functional aromatic compounds. Conversion of lignocellulosics to ethanol and other useful products would be of widespread economical and environmental benefit. Better understanding of the behavior of different lignicellulosic feedstocks in fermentation protocols as well as catalytic activities involved in lignocellulosic...