LEADER 05969nam 22007815 450 001 9910298267303321 005 20200630135227.0 010 $a94-017-7318-1 024 7 $a10.1007/978-94-017-7318-8 035 $a(CKB)3710000000477121 035 $a(EBL)4179193 035 $a(SSID)ssj0001583855 035 $a(PQKBManifestationID)16263691 035 $a(PQKBTitleCode)TC0001583855 035 $a(PQKBWorkID)14864258 035 $a(PQKB)10780611 035 $a(DE-He213)978-94-017-7318-8 035 $a(MiAaPQ)EBC4179193 035 $a(PPN)190533544 035 $a(EXLCZ)993710000000477121 100 $a20150914d2015 u| 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aMolecular Structures and Structural Dynamics of Prion Proteins and Prions $eMechanism Underlying the Resistance to Prion Diseases /$fby Jiapu Zhang 205 $a1st ed. 2015. 210 1$aDordrecht :$cSpringer Netherlands :$cImprint: Springer,$d2015. 215 $a1 online resource (366 p.) 225 1 $aFocus on Structural Biology,$x1571-4853 ;$v9 300 $aDescription based upon print version of record. 311 $a94-017-7317-3 320 $aIncludes bibliographical references and index. 327 $aBasic Knowledge -- The Homology Structure and Dynamics -- The NMR Structure and Dynamics of the Wild-type and Mutants -- Compared with the NMR Structure and Dynamics of Humans and Mice -- Compared with the NMR Structure and Dynamics of Dogs and Horses -- Compared with a Homology Structure and Dynamics of Buffaloes -- Compared with NMR Structure and Dynamics of Elks -- Compared with the X-ray Structure and Dynamics of Rabbits -- Surface Electrostatic Charge Distributions -- The Hydrophobic Region PrP(109?136) -- The Hybrid Method of Steepest Descent - Conjugate Gradient with Simulated Annealing -- Hybrid Method of Discrete Gradient with Simulated Annealing or Genetic Algorithm -- A Novel Canonical Dual Global Optimization Computational Approach -- The Hybrid Method of Evolutionary Computations with Simulated Annealing -- Simulated Annealing Refined Replica Exchange Global Search Algorithm -- LBFGS Quasi-Newtonian Methods for MM Prion AGAAAAGA Amyloid Fibrils -- Particle Swarm Global Optimization Search Algorithm -- A Summary of the Research Works on AGAAAAGA. 330 $aThis monograph is the first easy-to-read-and-understand book on prion proteins' molecular dynamics (MD) simulations and on prions' molecular modelling (MM) constructions.  It enables researchers to see what is crucial to the conformational change from normal cellular prion protein (PrPC) to diseased infectious prions (PrPSc), using MD and MM techniques. As we all know, prion diseases, caused by the body's own proteins, are invariably fatal and highly infectious neurodegenerative diseases effecting humans and almost all animals for a major public health concern. Prion contains no nucleic acids and it is a misshapen or conformation-changed protein that acts like an infectious agent; thus prion diseases are called ?protein structural conformational? diseases. PrPC is predominant in ?-helices but PrPSc are rich in ?-sheets in the form as amyloid fibrils; so very amenable to be studied by MD techniques. Through MD, studies on the protein structures and the structural conversion are very important for revealing secrets of prion diseases and for structure-based drug design or discovery. Rabbits, dogs, horses and buffaloes are reported to be the few low susceptibility species to prion diseases; this book's MD studies on these species are clearly helpful to understand the mechanism underlying the resistance to prion diseases. PrP(1-120) usually has no clear molecular structures; this book also studies this unstructured region through MD and especially MM techniques from the global optimization point of view. This book is ideal for practitioners in computing of biophysics, biochemistry, biomedicine, bioinformatics, cheminformatics, materials science and engineering, applied mathematics and theoretical physics, information technology, operations research, biostatistics, etc. As an accessible introduction to these fields, this book is also ideal as a teaching material for students. 410 0$aFocus on Structural Biology,$x1571-4853 ;$v9 606 $aProteins  606 $aMolecular biology 606 $aBioinformatics 606 $aChemistry, Physical and theoretical 606 $aBiophysics 606 $aBiological physics 606 $aProtein Structure$3https://scigraph.springernature.com/ontologies/product-market-codes/L14050 606 $aMolecular Medicine$3https://scigraph.springernature.com/ontologies/product-market-codes/B1700X 606 $aComputational Biology/Bioinformatics$3https://scigraph.springernature.com/ontologies/product-market-codes/I23050 606 $aTheoretical and Computational Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C25007 606 $aBiological and Medical Physics, Biophysics$3https://scigraph.springernature.com/ontologies/product-market-codes/P27008 615 0$aProteins . 615 0$aMolecular biology. 615 0$aBioinformatics. 615 0$aChemistry, Physical and theoretical. 615 0$aBiophysics. 615 0$aBiological physics. 615 14$aProtein Structure. 615 24$aMolecular Medicine. 615 24$aComputational Biology/Bioinformatics. 615 24$aTheoretical and Computational Chemistry. 615 24$aBiological and Medical Physics, Biophysics. 676 $a616.83 700 $aZhang$b Jiapu$4aut$4http://id.loc.gov/vocabulary/relators/aut$0768810 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910298267303321 996 $aMolecular Structures and Structural Dynamics of Prion Proteins and Prions$92541191 997 $aUNINA