03206nam 2200589Ia 450 991082887770332120240313222620.01-281-96817-X9786611968175981-281-478-7(CKB)1000000000554952(EBL)1193653(SSID)ssj0000301558(PQKBManifestationID)12096924(PQKBTitleCode)TC0000301558(PQKBWorkID)10263559(PQKB)11584129(MiAaPQ)EBC1193653(WSP)00006403(Au-PeEL)EBL1193653(CaPaEBR)ebr10688086(CaONFJC)MIL196817(OCoLC)318879610(EXLCZ)99100000000055495220090306d2008 uy 0engur|n|---|||||txtccrLecture notes on computational structural biology /Zhijun Wu1st ed.Singapore ;Hackensack, NJ World Scientificc20081 online resource (244 p.)Description based upon print version of record.981-270-589-9 Includes bibliographical references and index.1. Introduction. 1.1. Protein structure. 1.2. Structure determination. 1.3. Dynamics simulation. 1.4. The myth of protein folding -- 2. X-ray crystallography computing. 2.1. The phase problem. 2.2. Least squares solutions. 2.3. Entropy maximization. 2.4. Indirect methods -- 3. NMR structure determination. 3.1. Nuclear magnetic resonance. 3.2. Distance geometry. 3.3. Distance-based modeling. 3.4. Structural analysis -- 4. Potential energy minimization. 4.1. Potential energy function. 4.2. Local optimization. 4.3. Global optimization. 4.4. Energy transformation -- 5. Molecular dynamics simulation. 5.1. Equations of motion. 5.2. Initial-value problem. 5.3. Boundary-value problem. 5.4. Normal mode analysis -- 6. Knowledge-based protein modeling. 6.1. Sequence/structural alignment. 6.2. Fold recognition/inverse folding. 6.3. Knowledge-based structural refinement. 6.4. Structural computing and beyond.While the field of computational structural biology or structural bioinformatics is rapidly developing, there are few books with a relatively complete coverage of such diverse research subjects studied in the field as X-ray crystallography computing, NMR structure determination, potential energy minimization, dynamics simulation, and knowledge-based modeling. This book helps fill the gap by providing such a survey on all the related subjects. Comprising a collection of lecture notes for a computational structural biology course for the Program on Bioinformatics and Computational Biology at IowComputational biologyStructural bioinformaticsComputational biology.Structural bioinformatics.572.80285Wu Zhijun1956-1639348MiAaPQMiAaPQMiAaPQBOOK9910828877703321Lecture notes on computational structural biology3982267UNINA