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To the best of the author's knowledge, there is little structural data available on the AGAAAAGA palindrome in the hydrophobic region (113-120) of prion proteins due to the unstable, noncrystalline and insoluble nature of the amyloid…

Biological Physics · Physics 2012-12-14 Jiapu Zhang

X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy are two powerful tools to determine the protein 3D structure. However, not all proteins can be successfully crystallized, particularly for membrane proteins. Although…

Optimization and Control · Mathematics 2012-12-14 Jiapu Zhang , David D. W. Liu

X-ray crystallography is a powerful tool to determine the protein 3D structure. However, it is time-consuming and expensive, and not all proteins can be successfully crystallized, particularly for membrane proteins. Although nuclear…

Biomolecules · Quantitative Biology 2013-12-10 Jiapu Zhang , Jie Sun , Changzhi Wu

X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy are two powerful tools to determine the protein 3D structure. However, not all proteins can be successfully crystallized, particularly for membrane proteins. Although…

Computational Engineering, Finance, and Science · Computer Science 2019-12-11 Jiapu Zhang

Experimental X-ray crystallography, NMR (Nuclear Magnetic Resonance) spectroscopy, dual polarization interferometry, etc are indeed very powerful tools to determine the 3-Dimensional structure of a protein (including the membrane protein);…

Optimization and Control · Mathematics 2013-01-03 Jiapu Zhang , Yating Hou , Yiju Wang , Changyu Wang , Xiangsun Zhang

X-ray crystallography, NMR (Nuclear Magnetic Resonance) spectroscopy, and dual polarization interferometry, etc are indeed very powerful tools to determine the 3D structures of proteins (including the membrane proteins), though they are…

Optimization and Control · Mathematics 2012-12-14 Jiapu Zhang

Prion diseases caused by the conversion from a soluble normal cellular prion protein into insoluble abnormally folded infectious prions, are invariably fatal and highly infectious degenerative diseases that affect a wide variety of…

Biomolecules · Quantitative Biology 2013-06-04 Jiapu Zhang , Yuanli Zhang

Protein aggregation is an important field of investigation because it is closely related to the problem of neurodegenerative diseases, to the development of biomaterials, and to the growth of cellular structures such as cyto-skeleton.…

Statistical Mechanics · Physics 2013-08-27 John S. Schreck , Jian-Min Yuan

This is a summary of mathematical tools we used in research of analyzing the structure of proteins with amyloid form \cite{xi2024Top}. We defined several geometry indicators on the discrete curve namely the hop distance, the discrete…

Algebraic Topology · Mathematics 2025-02-11 Xiaoxi Lin , Yunpeng Zi , Fengling Li , Jingyan Li

Powder bed fusion (PBF) is an emerging metal additive manufacturing (AM) technology that enables rapid fabrication of complex geometries. However, defects such as pores and balling may occur and lead to structural unconformities, thus…

Computational Engineering, Finance, and Science · Computer Science 2024-09-23 Jiarui Xie , Zhuo Yang , Chun-Chun Hu , Haw-Ching Yang , Yan Lu , Yaoyao Fiona Zhao

The need to understand the assembly kinetics of fibril formation has become urgent because of the realization that soluble oligomers of amyloidogenic peptides may be even more neurotoxic than the end product, namely, the amyloid fibrils. In…

Biomolecules · Quantitative Biology 2007-05-23 Ruxandra I. Dima , Bogdan Tarus , John E. Straub , D. Thirumalai

Prion diseases are invariably fatal neurodegenerative diseases that affect humans and animals. Unlike most other amyloid forming neurodegenerative diseases, these can be highly infectious. Prion diseases occur in a variety of species. They…

Biological Physics · Physics 2014-12-01 Jiapu Zhang , Feng Wang

Mouse prion protein PrP106-126 is a peptide corresponding to the residues 107-127 of human prion protein. It has been shown that PrP106-126 can reproduce the main neuropathological features of prionrelated transmissible spongiform…

Biomolecules · Quantitative Biology 2007-05-23 Xin Zhao , Shuo-Xing Dou , Ping Xie , Peng-Ye Wang

Protein amyloid fibrils are a form of linear protein aggregates that are implicated in many neurodegenerative diseases. Here, we study the dynamics of amyloid fibril elongation by performing Langevin dynamic simulations on a coarse-grained…

Biological Physics · Physics 2009-10-06 Chiu Fan Lee , James Loken , Letitia Jean , David J. Vaux

Amorphous and amorphous porous palladium are key materials for catalysis, hydrogen storage, and functional applications, but their complex structures present computational challenges. This study employs a deep neural network trained on…

Materials Science · Physics 2025-02-11 Isaías Rodríguez

Recent advances in (scanning) transmission electron microscopy have enabled routine generation of large volumes of high-veracity structural data on 2D and 3D materials, naturally offering the challenge of using these as starting inputs for…

Data Analysis, Statistics and Probability · Physics 2022-11-08 Ayana Ghosh , Maxim Ziatdinov , Ondrej Dyck , Bobby Sumpter , Sergei V. Kalinin

The local structure of a protein strongly impacts its function and interactions with other molecules. Therefore, a concise, informative representation of a local protein environment is essential for modeling and designing proteins and…

Amyloid fibrillation is a protein self-assembly phenomenon that is intimately related to well-known human neurodegenerative diseases. During the past few decades, striking advances have been achieved in our understanding of the physical…

Biomolecules · Quantitative Biology 2017-09-06 Liu Hong , Chiu Fan Lee , Ya Jing Huang

Amyloid fibrils are stable aggregates of misfolded proteins and polypeptides that are insoluble and resistant to protease activity. Abnormal formation of amyloid fibrils in vivo may lead to neurodegenerative disorders and other systemic…

Biomolecules · Quantitative Biology 2018-05-22 Boris Haimov , Simcha Srebnik

Structural MRI-to-amyloid PET synthesis has been proposed as a non-invasive alternative for amyloid assessment in Alzheimer's disease (AD). However, reported performance of identical models varies widely across studies, and increasingly…

Computer Vision and Pattern Recognition · Computer Science 2026-05-27 Louise E. G. Baron , Ross Callaghan , David M. Cash , Philip S. J. Weston , Hojjat Azadbakht , Hui Zhang
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