42 citations · 169 across the 26 of their papers we have counts for
29 papers
Molecular dynamics and optimization studies of horse prion protein wild type and its S167D mutant
Jiapu Zhang
Prion diseases or called transmissible spongiform encephalopathies are fatal neurodegenerative diseases characterised by the accumulation of an abnormal prion protein isoform (rich…
The polar clasps of a bank vole PrP(168--176) prion protofibril revisiting
Jiapu Zhang
On 2018-01-17 two electron crystallography structures (with PDB entries 6AXZ, 6BTK) on a prion protofibril of bank vole PrP(168-176) (a segment in the PrP 2-2 loop) were rele…
Molecular Dynamics Studies of the Bufallo Prion Protein Structured Region at Higher Temperatures
Jiapu Zhang
Molecular dynamics (MD) studies of buffalo prion protein (BufPrP) [Zhang JP et al.(2016) J Biomol Struct Dyn 34(4):762-777] showed that the structure of this protein is…
Molecular Dynamics Studies of Dog Prion Protein Wild-type and Its D159N Mutant
Jiapu Zhang
Prion diseases (e.g. "mad cow" disease in cattle, chronic wasting disease in deer and elk, CJD in humans) have been a major public health concern affecting humans and almost all an…
The Hybrid Idea of Optimization Methods Applied to the Energy Minimization of (Prion) Protein Structures Focusing on the beta2-alpha2 Loop
Jiapu Zhang
In molecular mechanics, current generation potential energy functions provide a reasonably good compromise between accuracy and effectiveness. This paper firstly reviewed several m…
Molecular Dynamics Studies on the Buffalo Prion Protein
Jiapu Zhang, Feng Wang, Subhojyoti Chatterjee
It was reported that buffalo is a low susceptibility species resisting to prion diseases, which are invariably fatal and highly infectious neurodegenerative diseases that affect a…
A survey and a molecular dynamics study on the (central) hydrophobic region of prion proteins
Jiapu Zhang, Feng Wang
Prion diseases are invariably fatal neurodegenerative diseases that affect humans and animals. Unlike most other amyloid forming neurodegenerative diseases, these can be highly inf…
A Review on the Salt Bridge Between ASP177 and ARG163 of Wild-Type Rabbit Prion Protein
Jiapu Zhang, Feng Wang
Prion diseases are invariably fatal and highly infectious neurodegenerative diseases that affect a wide variety of mammalian species such as sheep and goats, cattle, deer, elks, hu…
Molecular dynamics studies on the NMR structures of rabbit prion protein wild-type and mutants: surface electrostatic charge distributions
Jiapu Zhang, Feng Wang
Prion is a misfolded protein found in mammals that causes infectious diseases of the nervous system in humans and animals. Prion diseases are invariably fatal and highly infectious…
A global and superlinearly convergent algorithm for nonlinear nondifferential convex programming problems with a generalized Armijo line-search
Jiapu Zhang
This paper presents a new generalized Armijo's line-search method, and combines it with a phi-regulation defined to obtain a new algorithm solving the very general non-linear non-s…
Simulated annealing: in mathematical global optimization computation, hybrid with local or global search, and practical applications in crystallography and molecular modelling
Jiapu Zhang
Simulated annealing (SA) was inspired from annealing in metallurgy, a technique involving heating and controlled cooling of a material to increase the size of its crystals and redu…
The Methicillin-Resistant Staphylococcus Aureus Infection Controls
Jiapu Zhang
Multi-resistant organisms (MROs), the bacteria that are resistant to a number of different antibiotics, have been very popular around the world in recent years. They are very diffi…
Molecular dynamics studies on the NMR and X-ray structures of rabbit prion protein wild-type and mutants
Jiapu Zhang, Yuanli Zhang
Prion diseases are invariably fatal and highly infectious neurodegenerative diseases that affect a wide variety of mammalian species such as sheep, goats, mice, humans, chimpanzees…
Molecular Dynamics Studies on 3D Structures of the Hydrophobic Region PrP(109-136)
Jiapu Zhang, Yuanli 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…
The LBFGS Quasi-Newtonian Method for Molecular Modeling Prion AGAAAAGA Amyloid Fibrils
Jiapu Zhang, Yating Hou, Yiju Wang +2
Experimental X-ray crystallography, NMR (Nuclear Magnetic Resonance) spectroscopy, dual polarization interferometry, etc are indeed very powerful tools to determine the 3-Dimension…
Computational Potential Energy Minimization Studies on the Prion AGAAAAGA Amyloid Fibril Molecular Structures
Jiapu 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 pro…
A strategy on prion AGAAAAGA amyloid fibril molecular modelling
Jiapu Zhang, David D. W. Liu
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…
Molecular Dynamics Studies on the Structural Stability of Wild-Type Rabbit Prion Protein: Surface Electrostatic Charge Distributions
Jiapu Zhang
Prion diseases cover a large range of neurodegenerative diseases in humans and animals, which are invariably fatal and highly infectious. By now there have not been some effective…
Canonical Duality Theory for Solving Minimization Problem of Rosenbrock Function
David Y. Gao, Jiapu Zhang
This paper presents a canonical duality theory for solving nonconvex minimization problem of Rosenbrock function. Extensive numerical results show that this benchmark test problem…
Computational Studies of the Structural Stability of Rabbit Prion Protein Compared to Human and Mouse Prion Proteins
Jiapu Zhang
Prion diseases are invariably fatal and highly infectious neurodegenerative diseases affecting humans and animals. The neurodegenerative diseases such as Creutzfeldt-Jakob disease,…
A novel canonical dual computational approach for prion AGAAAAGA amyloid fibril molecular modeling
Jiapu Zhang, David Y. Gao, Johh Yearwood
Many experimental studies have shown that the prion AGAAAAGA palindrome hydrophobic region (113-120) has amyloid fibril forming properties and plays an important role in prion dise…
Canonical dual theory applied to a Lennard-Jones potential minimization problem
Jiapu Zhang
The simplified Lennard-Jones (LJ) potential minimization problem is w…
The Lennard-Jones Potential Minimization Problem for Prion AGAAAAGA Amyloid Fibril Molecular Modeling
Jiapu Zhang
The simplified Lennard-Jones (LJ) potential minimization problem is minimize f(x)=4\sum_{i=1}^N \sum_{j=1,j<i}^N (τ_{ij}^{-6} -τ_{ij}^{-3}) subject to x\in \mathbb{R}^n, where $τ_{…
The nature of the infectious agents: PrP models of resistant species to prion diseases (dog, rabbit and horses)
Jiapu Zhang
Prion diseases are invariably fatal and highly infectious neurodegenerative diseases affecting humans and animals. By now there have not been some effective therapeutic approaches…