Protein-Ligand Interactions and Drug Design

图书简介

This detailed book collects modern and established computer-based methods aimed at addressing the drug discovery challenge from disparate perspectives by exploiting information on ligand-protein recognition. Beginning with methods that allow for the exploration of specific areas of chemical space and the designing of virtual libraries, the volume continues with sections on methods based on docking, quantitative models, and molecular dynamics simulations, which are employed for ligand discovery or development, as well as methods exploiting an ensemble of protein structures for the identification of potential protein targets. Written for the highly successful Methods in Molecular Biology series, chapters include introductions to their respective topics, lists of the necessary materials, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls.Authoritative and cutting-edge, Protein-Ligand Interactions and Drug Design provides detailed practical procedures of solid computer-aided drug design methodologies employed to rationalize and optimize protein-ligand interactions, for experienced researchers and novices alike.

Investigation of the Click-Chemical Space for Drug Design Using ZINClick.- Molecular Scaffold Hopping via Holistic Molecular Representation.- Biased Docking for Protein-Ligand Pose Prediction.- Binding Mode Prediction and Virtual Screening Applications by Covalent Docking.- Ligand-Receptor, Ligand-DNA Interactions and Drug Design.- Simulation of Ligand Transport in Receptors Using CaverDock.- Negative Image-Based Screening: Rigid Docking Using Cavity Information.- Negative Image-Based Rescoring: Using Cavity Information to Improve Docking Screening.- Fragment-Based Drug Design of Selective HDAC6 Inhibitors.- A Protocol to Use Comparative Binding Energy Analysis to Estimate Drug-Target Residence Time.- Dynamic Docking Using Multicanonical Molecular Dynamics: Simulating Complex Formation at the Atomistic Level.- Free Energy Calculations for Protein-Ligand Binding Prediction.- Exploiting Water Dynamics for Pharmacophore Screening.- Markov State Models to Elucidate Ligand Binding Mechanism.- From Homology Modeling to the Hit Identification and Drug Repurposing: A Structure-Based Approach in the Discovery of Novel Potential Anti-Obesity Compounds.- Multiple Target Drug Design Using LigBuilder 3.- Bionoi: A Voronoi Diagram-Based Representation of Ligand-Binding Sites in Proteins for Machine Learning Applications.- MDock: A Suite for Molecular Inverse Docking and Target Prediction.

Trade Policy 买家须知

关于产品：
● 正版保障：本网站隶属于中国国际图书贸易集团公司，确保所有图书都是100%正版。
● 环保纸张：进口图书大多使用的都是环保轻型张，颜色偏黄，重量比较轻。
● 毛边版：即书翻页的地方，故意做成了参差不齐的样子，一般为精装版，更具收藏价值。
关于退换货：
由于预订产品的特殊性，采购订单正式发订后，买方不得无故取消全部或部分产品的订购。
由于进口图书的特殊性，发生以下情况的，请直接拒收货物，由快递返回：
● 外包装破损/发错货/少发货/图书外观破损/图书配件不全（例如：光盘等）
并请在工作日通过电话400-008-1110联系我们。
签收后，如发生以下情况，请在签收后的5个工作日内联系客服办理退换货：
● 缺页/错页/错印/脱线
关于发货时间：
一般情况下：
●【现货】下单后48小时内由北京（库房）发出快递。
●【预订】【预售】下单后国外发货，到货时间预计5-8周左右，店铺默认中通快递，如需顺丰快递邮费到付。
● 需要开具发票的客户，发货时间可能在上述基础上再延后1-2个工作日（紧急发票需求，请联系010-68433105/3213）；
● 如遇其他特殊原因，对发货时间有影响的，我们会第一时间在网站公告，敬请留意。
关于到货时间：
由于进口图书入境入库后，都是委托第三方快递发货，所以我们只能保证在规定时间内发出，但无法为您保证确切的到货时间。
● 主要城市一般2-4天
● 偏远地区一般4-7天
关于接听咨询电话的时间：
010-68433105/3213正常接听咨询电话的时间为：周一至周五上午8：30～下午5：00，周六、日及法定节假日休息，将无法接听来电，敬请谅解。
其它时间您也可以通过邮件联系我们：customer@readgo.cn,工作日会优先处理。
关于快递：
● 已付款订单：主要由中通、宅急送负责派送，订单进度查询请拨打010-68433105/3213。

Protein-Ligand Interactions and Drug Design（Methods in Molecular Biology） 蛋白质 - 配体相互作用与药物设计 药物化学

Protein-Ligand Interactions and Drug Design（Methods in Molecular Biology）

蛋白质 - 配体相互作用与药物设计
药物化学