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Site-Directed Mutagenesis and Intrinsic Tryptophan Fluorescence Study to Probe the Conformational Change in Escherichia coli Prolyl-tRNA Synthetase (Ec ProRS)
(2019-05)
Amino-acyl tRNA synthetases (AARSs) belong to a class of an important family of enzymes that are critical for proteins biosynthesis in all living organisms. They catalyze aminoacylation of tRNAs, a key step in protein ...
Role of a Conserved Disulfide on the Interactions Between Severe Acute Respiratory Syndrome Coronavirus 2 and Angiotensin-Converting Enzyme 2
(2021-04)
Coronaviruses are large, enveloped, positive strand RNA viruses capable of infecting a large array of mammalian and avian species that possess densely glycosylated spike-shaped proteins on their surfaces giving them the ...
Studying the Interactions between Monosaccharide / Polysaccharide with Tryptophan Using Fluorescence Spectroscopy
(2019)
Fluorescence spectroscopy has become a pivotal tool in biochemical research by virtue of its robustness and high sensitivity. Intrinsic protein fluorescence, that originates mainly from the aromatic amino acid tryptophan, ...
Calculation of Binding Free Energies of NAD(P)H:Quinone Oxidoreductase 1 Inhibitors
(2018-04)
NAD(P)H:quinone oxidoreductase 1 (NQO1) plays a key role in cellular defense in humans. It is known to reduce quinones to hydroquinones, inhibiting their ability to become a free radical semiquinone state, and cause cellular ...
Investigating Catalytically Important in Escherichia coli Prolyl-tRNA Synthetase Using SiteDirected Mutagenesis and Computational Studies
(2018-05)
This research project is a continuing effort focused on the molecular-level understanding of the relationship between structure, dynamics, and function in aminoacyl-tRNA synthetases (AARSs). Recent computational studies ...
Exploring Policies to Promote High-Performance Computing in Post-Pandemic Undergraduate Education in Wisconsin
(2022-04)
The COVID-19 pandemic has challenged higher education institutions across the world to maintain the quality of education and fulfill their mission. Notably, classes and research projects that involved high-performance ...
Structure and Dynamics of the Severe Acute Respiratory Syndrome Coronavirus 2 - Bound Angiotensin-Converting Enzyme 2 : Insight into the Role of a Conserved Disulfide
(2021-04)
Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) is a pathogenic coronavirus in humans. Coronaviruses are large RNA viruses which contain spike proteins on their surface, giving the appearance of a crown and ...
Towards Development of a Computational Screening Tool for Quinone Oxidoreductase Inhibitors
(2019-05)
NAD(P)H:quinone oxidoreductase 1 (NQO1) and its paralog NRH:quinone
oxidoreductase 2 (NQO2) function by reducing quinones into hydroquinones via a two-electron reduction, which is mediated by the cofactor flavin adenine ...
Investigating Structure-Dynamics-Function Differences Among Various Species of Proyl-tRNA Synthetase Using a Hybrid QM/MM Computational Technique
(2019-05)
All living organisms contain amino-acyl tRNA synthetases (AARSs) ‒ a family of enzymes critical for protein synthesis. They are responsible for the covalent ligation of proline to its specific tRNA molecule, called tRNAPro, ...
Molecular Dynamics Simulation Studies to Probe the Impact of Oxidative Stress on the Binding of SARS-CoV-2 Spike Protein to Angiotensin-Converting Enzyme 2
(2021-04)
The receptor-binding domain (RBD) of the SARS-CoV-2 spike protein as well as the human cell surface receptor angiotensin-converting enzyme II (ACE2) contain several cysteine residues. These cysteine residues exist either in ...