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Computational Analysis Of O6-Methylated Guanine And Thioguanine Complexes, Kirsten Stinson, Michael Bowman
Computational Analysis Of O6-Methylated Guanine And Thioguanine Complexes, Kirsten Stinson, Michael Bowman
Lux et Fides: A Journal for Undergraduate Christian Scholars
DNA methylation occurring on the O6 position of guanine has been linked to the formation of cancer. DNA complexes with O6-methylated guanine have been studied experimentally, yet questions remain concerning the carcinogenic properties of O6-methylguanine. This present research explored the interaction between O6-methylguanine and its potential nucleobase pairs of cytosine and adenine in hopes of elucidating the mutagenic characteristics of O6-methylguanine. A variety of computational methods including Density Functional Theory (DFT), Symmetry Adapted Perturbation Theory (SAPT), Noncovalent Interaction (NCI) analysis, and Natural Bond Orbital (NBO) analysis were employed to comprehensively probe …
Design To Data For Mutants Of Β-Glucosidase B From Paenibacillus Polymyxa: E26k, I170y, And V398n, Carter Ahlstedt, Annika Bennett, Daniel Kaluka
Design To Data For Mutants Of Β-Glucosidase B From Paenibacillus Polymyxa: E26k, I170y, And V398n, Carter Ahlstedt, Annika Bennett, Daniel Kaluka
Lux et Fides: A Journal for Undergraduate Christian Scholars
Protein modeling aids in developing novel protein configurations that are critical in, for example, the pharmaceutical and environmental industries. However, the predictive capabilities of the protein modeling algorithms are limited due to a lack of experimental data on structure and function. To bridge this gap, Seigel Lab at UC Davis developed the Design to Data (D2D) program to catalog thermal stability and catalytic efficiency data sets on β-glucosidase B (BglB) variants. Over 300 BglB variants have been characterized. However, there are over 8400 possible BglB single-point mutations. We utilized Foldit software to design BglB mutants E26K, I170Y, and V398N. The …