Search Results - "Duong, Vy T."

Neural Upscaling from Residue-Level Protein Structure Networks to Atomistic Structures by Duong, Vy T, Diessner, Elizabeth M, Grazioli, Gianmarc, Martin, Rachel W, Butts, Carter T

“…Coarse-graining is a powerful tool for extending the reach of dynamic models of proteins and other biological macromolecules. Topological coarse-graining, in…”
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Computational Studies of Intrinsically Disordered Proteins by Duong, Vy T, Chen, Zihao, Thapa, Mahendra T, Luo, Ray

“…Frequently elusive to experimental characterizations, intrinsically disordered proteins (IDPs) can be probed using molecular dynamics to provide detailed…”
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Structure prediction and network analysis of chitinases from the Cape sundew, Drosera capensis by Unhelkar, Megha H., Duong, Vy T., Enendu, Kaosoluchi N., Kelly, John E., Tahir, Seemal, Butts, Carter T., Martin, Rachel W.

“…Carnivorous plants possess diverse sets of enzymes with novel functionalities applicable to biotechnology, proteomics, and bioanalytical research. Chitinases…”
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Protein structure networks provide insight into active site flexibility in esterase/lipases from the carnivorous plant Drosera capensis by Duong, Vy T, Unhelkar, Megha H, Kelly, John E, Kim, Suhn H, Butts, Carter T, Martin, Rachel W

“…In plants, esterase/lipases perform transesterification reactions, playing an important role in the synthesis of useful molecules, such as those comprising the…”
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Improved Accuracy and Convergence of Intrinsically Disordered Protein Molecular Dynamics Simulations Using the ff14IDPSFF Force Field by Duong, Vy T., Thapa, Mahendra, Luo, Ray

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Protein structure networks provide insight into active site flexibility in esterase/lipases from the carnivorous plant Drosera capensisElectronic supplementary information (ESI) available. See DOI: 10.1039/c8ib00140e by Duong, Vy T, Unhelkar, Megha H, Kelly, John E, Kim, Suhn H, Butts, Carter T, Martin, Rachel W

“…In plants, esterase/lipases perform transesterification reactions, playing an important role in the synthesis of useful molecules, such as those comprising the…”
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Investigation of Protein Sequence-structure Dynamics Using Bioinformatics, Molecular Dynamics and Machine Learning by Duong, Vy T

“…As genomic repositories increasingly grow with a variety of data from a multitude of organisms, the need to approach extracting and interpreting data also…”
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