结构生物信息学【正版新书】
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作者魏冬青 等 编著;陈竺,沈晓明,陈赛娟 等 丛书主编
出版社上海交通大学出版社
ISBN9787313139825
出版时间2015-12
装帧精装
开本16开
定价248元
货号1201252503
上书时间2024-06-26
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目录
1 Introduction to Structural Bioinformatics Qin Xu, Hao Dai, Tangzhen Zhao and Dongqing Wei Part I Advances in Methods for Structural Bioinformatics
2 JVM: Java Visual Mapping Tool for Next Generation Sequencing Read Ye Yang and Juan Liu
3 Advancement of Polarizable Force Field and Its Use for Molecular Modeling and Design Peijun Xu, Jinguang Wang, Yong Xu, Huiying Chu, Jiahui Liu, Meixia Zhao, Depeng Zhang, Yingchen Mao, Beibei Li, Yang Ding and Guohui Li
4 Systematic Methods for Defining Coarse-Grained Maps in Large Biomolecules Zhiyong Zhang
5 Quantum Calculation of Protein NMR Chemical Shifts Based
on the Automated Fragmentation Method Tong Zhu, John Z.H. Zhang and Xiao He
6 Applications of Rare Event Dynamics on the Free Energy Calculations for Membrane Protein Systems Yukun Wang, Ruoxu Gu, Huaimeng Fan,Jakob Ulmschneider and Dongqing Wei Part II 3D-Structure Prediction and Folding Mechanism of Biological Macromolecules
7 Extended Structure of Rat Islet Amyloid Polypeptide in Solution Lei Wei, Ping Jiang, Malathy Sony Subramanian Manimekalai, Cornelia Hunke, Gerhard Grtiber, Konstantin Pervushin and Yuguang Mu
8 Folding Mechanisms of Trefoil Knot Proteins Studied by Molecular Dynamics Simulations and Go-model Xue Wu, Peijun Xu, Jinguang Wang, Yong Xu, Ting Fu, Depeng Zhang, Meixia Zhao, Jiahui Liu, Hujun Shen, Zhilong Xiu and Guohui Li
9 Binding Induced Intrinsically Disordered Protein Folding with Molecular Dynamics Simulation Haifeng Chen
10 Theoretical Studies on the Folding Mechanisms for Different
DNA G-quadruplexes Xue Wu, Peijun Xu, Jinguang Wang, Yong Xu, Ting Fu, Meixia Zhao, Depeng Zhang, Jiahui Liu, Hu]un Shen,
Zhilong Xiu and Guohui Li
11 RNA Folding: Structure Prediction, Folding Kinetics and Ion Electrostatics Zhijie Tan, Wenbing Zhang, Yazhou Shi and Fenghua Wang
Part III The Interactions Between Biological Macromolecules
and Ligands
12 Binding Modes and Interaction Mechanism Between Different
Base Pairs and Methylene Blue Trihydrate:
A Quantum Mechanics Study
Peijun Xu, Jinguang Wang, Yong Xu, Huiying Chu, Hujun Shen,
Depeng Zhang, Meixia Zhao, Jiahui Liu and Guohui Li
13 Drug Inhibition and Proton Conduction Mechanisms
of the Influenza A M2 Proton Channel
Ruoxu Gu, Limin Angela Liu and Dongqing Wei
14 Exploring the Ligand-Protein Networks in Traditional
Chinese Medicine: Current Databases, Methods and Applications
Mingzhu Zhao and Dongqing Wei
Part IV Functional Analysis of Biological Macromolecules
15 Evolutionary Optimization of Transcription Factor
Binding Motif Detection
Zhao Zhang, Ze Wang, Guoqin Mai, Youxi Luo,
Miaomiao Zhao and Fengfeng Zhou
16 Prediction of Serine/Threonine Phosphorylation Sites
in Bacteria Proteins
Zhengpeng Li, Ping Wu, Yuanyuan Zhao,
Zexian Liu and Wei Zhao
17 Bioinformatics Tools for Discovery and Functional Analysis
of Single Nucleotide Polymorphisms
Li Li and Dongqing Wei
18 An Application of QM/MM Simulation: The Second Protonation of Cytochrome P450 Peng Lian and Dongqing Wei Part V Application of Structural Bioinformatics in Drug Design
19 Recent Progress on Structural Bioinformatics Research of Cytochrome P450 and Its Impact on Drug Discovery Tao Zhang and Dongqing Wei
20 Human Cytochrome P450 and Personalized Medicine Qi Chen and Dongqing Wei
21 The α7 nAChR Selective Agonists as Drug Candidates for Alzheimers Disease Huaimeng Fan, Ruoxu Gu and Dongqing Wei
22 Bayesian Analysis of Complex Interacting Mutations
in HIV Drug Resistance and Cross-Resistance Ivan Kozyryev and Jing Zhang
内容摘要
本书重点在于介绍生物大分子的结构特点、结构获得的方法，基于结构的功能研究等的方法及原理。在知识结构方面，能帮助读者掌握必要的生物大分子结构数据获取和分析的基本方法和知识，掌握结构分析的核心算法和基本的数学模型及相关的数学、统计学和分子生物学理论知识，了解近期新的结构与功能研究的方法和系统以及它们在生物、医药、能源以及其他工农业各方面的应用。在能力培养方面，能帮助读者运用所学的理论和应用软件，通过数据采集、数据分析选择合适的数学模型、建立结构的分析模型，对实验数据进行从结构到功能的分析，给出具有合理生物意义的分子机理。
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