{"product_id":"reviews-in-computational-chemistry-volume-22-hardback-9780471779384","title":"Reviews in Computational Chemistry, Volume 22 (Hardback) 9780471779384","description":"\u003cfont face=\"Georgia\"\u003e\r\n\u003cp\u003e\u003cfont size=\"6\"\u003eReviews in Computational Chemistry, Volume 22\u003c\/font\u003e\u003cbr\u003e\r\n\r\n\r\n\r\n\r\n\r\n\u003c\/p\u003e\n\u003cp\u003e\u003cfont size=\"4\"\u003eKenny B. Lipkowitz (Edited by), KB Lipkowitz (Author), Thomas R. Cundari (Edited by), Valerie J. Gillet (Edited by), Donald B. Boyd (Edited by)\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e9780471779384, Wiley\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eHardback, published 28 February 2006\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e392 pages\u003cbr\u003e23.8 x 16.2 x 2.3 cm, 0.656 kg\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\r\n\u003cp align=\"justify\"\u003e\u003cem\u003e\u003cfont size=\"3\"\u003e\"…a readable introduction to a wide range of topics regarding protein structure and folding and also to chemical applications of wavelets.\" (\u003ci\u003eJournal of the American Chemical Society\u003c\/i\u003e, May 24, 2006)\u003c\/font\u003e\u003c\/em\u003e\u003c\/p\u003e\r\n\r\n\u003cp align=\"justify\"\u003e\u003cstrong\u003e\u003cfont size=\"3\"\u003eFROM REVIEWS OF THE SERIES\u003cbr\u003e \u003cbr\u003e \"Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry.\"\u003cbr\u003e -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING\u003cbr\u003e \u003cbr\u003e \"One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general).\"\u003cbr\u003e -JOURNAL OF THE AMERICAN CHEMICAL SOCIETY\u003c\/font\u003e\u003c\/strong\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e\u003cb\u003e1. Protein Structure Classification\u003c\/b\u003e (Patrice Koehl).  \u003cp\u003eIntroduction.\u003c\/p\u003e \u003cp\u003eClassification and Biology.\u003c\/p\u003e \u003cp\u003eThe Biomolecular Revolution.\u003c\/p\u003e \u003cp\u003eBasic Principles of Protein Structure.\u003c\/p\u003e \u003cp\u003eVisualization.\u003c\/p\u003e \u003cp\u003eProtein Building Blocks.\u003c\/p\u003e \u003cp\u003eProtein Structure Hierarchy.\u003c\/p\u003e \u003cp\u003eThree Types of Proteins.\u003c\/p\u003e \u003cp\u003eGeometry of Globular Proteins.\u003c\/p\u003e \u003cp\u003eProtein Domains.\u003c\/p\u003e \u003cp\u003eResources on Protein Structures.\u003c\/p\u003e \u003cp\u003eProtein Structure Comparison.\u003c\/p\u003e \u003cp\u003eAutomatic Identification of Protein Structural Domains.\u003c\/p\u003e \u003cp\u003eThe Rigid-Body Transformation Problem.\u003c\/p\u003e \u003cp\u003eProtein Structure Superposition.\u003c\/p\u003e \u003cp\u003ecRMS: An Ambiguous Measure of Similarity.\u003c\/p\u003e \u003cp\u003eDifferential Geometry and Protein Structure Comparison.\u003c\/p\u003e \u003cp\u003eUpcoming Challenges for Protein Structure Comparison.\u003c\/p\u003e \u003cp\u003eProtein Structure Classification.\u003c\/p\u003e \u003cp\u003eThe Structure Classification of Proteins (SCOP).\u003c\/p\u003e \u003cp\u003eThe CATH Classification.\u003c\/p\u003e \u003cp\u003eThe DALI Domain Dictionary (DDD).\u003c\/p\u003e \u003cp\u003eComparing SCOP, CATH, and DDD.\u003c\/p\u003e \u003cp\u003eConclusions.\u003c\/p\u003e \u003cp\u003eAcknowledgments.\u003c\/p\u003e \u003cp\u003eAppendix.\u003c\/p\u003e \u003cp\u003eReferences.\u003c\/p\u003e \u003cp\u003e\u003cb\u003e2. Comparative Protein Modeling\u003c\/b\u003e (Emilio Xavier Esposito, Dror Tobi, and Jeffry D. Madura).\u003c\/p\u003e \u003cp\u003eIntroduction.\u003c\/p\u003e \u003cp\u003eAnatomy of a Comparative Model.\u003c\/p\u003e \u003cp\u003eStep 1: Searching for Related Sequences and Structures.\u003c\/p\u003e \u003cp\u003eExpert Protein Analysis System (ExPASy).\u003c\/p\u003e \u003cp\u003eBLAST and PSI-BLAST.\u003c\/p\u003e \u003cp\u003eProtein Data Bank (PDB).\u003c\/p\u003e \u003cp\u003eSequence Alignment and Modeling System with Hidden Markov Models.\u003c\/p\u003e \u003cp\u003eThreading.\u003c\/p\u003e \u003cp\u003eThreader.\u003c\/p\u003e \u003cp\u003eExample: Finding Related Sequences and 3-D Structures.\u003c\/p\u003e \u003cp\u003eStep 2: Sequence Alignment.\u003c\/p\u003e \u003cp\u003ePreparing the Sequences.\u003c\/p\u003e \u003cp\u003eAlignment Basics.\u003c\/p\u003e \u003cp\u003eSimilarity Matrices.\u003c\/p\u003e \u003cp\u003eClustal.\u003c\/p\u003e \u003cp\u003eTree-Based Consistency Objective Function for Alignment Evaluation (T-Coffee).\u003c\/p\u003e \u003cp\u003eDivide-and-Conquer Alignment (DCA).\u003c\/p\u003e \u003cp\u003eExample: Aligning Sequences.\u003c\/p\u003e \u003cp\u003eStep 3: Selecting Templates and Improving Alignments.\u003c\/p\u003e \u003cp\u003eSelecting Templates.\u003c\/p\u003e \u003cp\u003eImproving Sequence Alignments With Primary and Secondary Structure Analysis.\u003c\/p\u003e \u003cp\u003eExample: Aligning the Target to the Selected Template.\u003c\/p\u003e \u003cp\u003eStep 4: Constructing Protein Models.\u003c\/p\u003e \u003cp\u003eSatisfaction of Spatial Restraints.\u003c\/p\u003e \u003cp\u003eSegment Match Modeling.\u003c\/p\u003e \u003cp\u003eMultiple Template Method.\u003c\/p\u003e \u003cp\u003e3D-JIGSAW.\u003c\/p\u003e \u003cp\u003eOverall Protein Model Construction Methods.\u003c\/p\u003e \u003cp\u003eExample: Constructing a Protein Model.\u003c\/p\u003e \u003cp\u003eStep 5: Refinement of Protein Models.\u003c\/p\u003e \u003cp\u003eSide-Chains with Rotamer Library (SCWRL).\u003c\/p\u003e \u003cp\u003eEnergy Minimization.\u003c\/p\u003e \u003cp\u003eMolecular Dynamics.\u003c\/p\u003e \u003cp\u003eMolecular Dynamics with Simulated Annealing.\u003c\/p\u003e \u003cp\u003eStep 6: Evaluating Protein Models.\u003c\/p\u003e \u003cp\u003ePROCHECK.\u003c\/p\u003e \u003cp\u003eVerify3D.\u003c\/p\u003e \u003cp\u003eERRAT.\u003c\/p\u003e \u003cp\u003eProtein Structure Analysis (ProSa).\u003c\/p\u003e \u003cp\u003eProtein Volume Evaluation (PROVE).\u003c\/p\u003e \u003cp\u003eModel Clustering Analysis.\u003c\/p\u003e \u003cp\u003eExample: Evaluation of Protein Models.\u003c\/p\u003e \u003cp\u003eConclusions.\u003c\/p\u003e \u003cp\u003eReferences.\u003c\/p\u003e \u003cp\u003e\u003cb\u003e3. Simulations of Protein Folding\u003c\/b\u003e (Joan-Emma Shea, Miriam R. Friedel, and Andrij Baumketner).\u003c\/p\u003e \u003cp\u003eIntroduction.\u003c\/p\u003e \u003cp\u003eTheoretical Framework.\u003c\/p\u003e \u003cp\u003eEnergy Landscape Theory.\u003c\/p\u003e \u003cp\u003eThermodynamics and Kinetics of Folding: Two-State and Multistate Folders.\u003c\/p\u003e \u003cp\u003eProtein Models.\u003c\/p\u003e \u003cp\u003eIntroduction and General Simulation Techniques.\u003c\/p\u003e \u003cp\u003eCoarse-Grained Protein Models.\u003c\/p\u003e \u003cp\u003eFully Atomic Simulations.\u003c\/p\u003e \u003cp\u003eAdvanced Topics: The Transition State Ensemble for Folding.\u003c\/p\u003e \u003cp\u003eTransition State and Two-State Kinetics.\u003c\/p\u003e \u003cp\u003eMethods for Identifying the TSE.\u003c\/p\u003e \u003cp\u003eConclusions and Future Directions.\u003c\/p\u003e \u003cp\u003eAcknowledgments.\u003c\/p\u003e \u003cp\u003eReferences.\u003c\/p\u003e \u003cp\u003e\u003cb\u003e4. The Simulation of Ionic Charge Transport in Biological Ion Channels: An Introduction to Numerical Methods\u003c\/b\u003e (Marco Saraniti, Shela Aboud, and Robert Eisenberg).\u003c\/p\u003e \u003cp\u003eIntroduction.\u003c\/p\u003e \u003cp\u003eSystem Components.\u003c\/p\u003e \u003cp\u003eTime and Space Scale.\u003c\/p\u003e \u003cp\u003eExperiments.\u003c\/p\u003e \u003cp\u003eElectrostatics.\u003c\/p\u003e \u003cp\u003eLong-Range Interaction.\u003c\/p\u003e \u003cp\u003eShort-Range Interaction.\u003c\/p\u003e \u003cp\u003eBoundary Conditions.\u003c\/p\u003e \u003cp\u003eParticle-Based Simulation.\u003c\/p\u003e \u003cp\u003eImplicit Solvent: Brownian Dynamics.\u003c\/p\u003e \u003cp\u003eExplicit Solvent: Molecular Dynamics.\u003c\/p\u003e \u003cp\u003eFlux-Based Simulation.\u003c\/p\u003e \u003cp\u003eNernst–Planck Equation.\u003c\/p\u003e \u003cp\u003eThe Poisson–Nernst–Planck (NP) Method.\u003c\/p\u003e \u003cp\u003eHierarchical Simulation Schemes.\u003c\/p\u003e \u003cp\u003eFuture Directions and Concluding Remarks.\u003c\/p\u003e \u003cp\u003eReferences.\u003c\/p\u003e \u003cp\u003e\u003cb\u003e5. Wavelets in Chemistry and Chemoinformatics\u003c\/b\u003e (C. Matthew Sundling, Nagamani Sukumar, Hongmei Zhang, Mark J. Embrechts, and Curt M. Breneman).\u003c\/p\u003e \u003cp\u003ePreface.\u003c\/p\u003e \u003cp\u003eIntroduction to Wavelets.\u003c\/p\u003e \u003cp\u003eFourier Transform.\u003c\/p\u003e \u003cp\u003eContinuous Fourier Transform.\u003c\/p\u003e \u003cp\u003eShort-Time Fourier Transformation.\u003c\/p\u003e \u003cp\u003eWavelet Transform.\u003c\/p\u003e \u003cp\u003eContinuous Wavelet Transform.\u003c\/p\u003e \u003cp\u003eDiscrete Wavelet Transform.\u003c\/p\u003e \u003cp\u003eWavelet Packet Transform.\u003c\/p\u003e \u003cp\u003eWavelets vs. Fourier Transforms: A Summary.\u003c\/p\u003e \u003cp\u003eApplication of Wavelets in Chemistry.\u003c\/p\u003e \u003cp\u003eSmoothing and Denoising.\u003c\/p\u003e \u003cp\u003eSignal Feature Isolation.\u003c\/p\u003e \u003cp\u003eSignal Compression.\u003c\/p\u003e \u003cp\u003eQuantum Chemistry.\u003c\/p\u003e \u003cp\u003eClassification, Regression, and QSAR\/QSPR.\u003c\/p\u003e \u003cp\u003eSummary.\u003c\/p\u003e \u003cp\u003eReferences.\u003c\/p\u003e \u003cp\u003e\u003cb\u003eAuthor Index.\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\u003cb\u003eSubject Index.\u003c\/b\u003e\u003c\/p\u003e\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eSubject Areas: Chemistry [\u003ca title=\"See our other books on Chemistry\" href=\"https:\/\/freshlyprintedbooks.co.uk\/search?q=%22Chemistry%20%5BPN%5D%22\"\u003ePN\u003c\/a\u003e]\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003c\/font\u003e","brand":"Wiley-VCH","offers":[{"title":"Brand New","offer_id":52298054107416,"sku":"9780471779384","price":153.99,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0730\/2037\/5320\/files\/9780471779384.jpg?v=1781733142","url":"https:\/\/freshlyprintedbooks.co.uk\/products\/reviews-in-computational-chemistry-volume-22-hardback-9780471779384","provider":"Freshly Printed Books","version":"1.0","type":"link"}