標題: Titlebook: Computer-Aided Drug Discovery; Wei Zhang Book 2016 Springer Science+Business Media New York 2016 Computational technologies.Structure pred [打印本頁] 作者: 監(jiān)督 時間: 2025-3-21 17:22
書目名稱Computer-Aided Drug Discovery影響因子(影響力)
書目名稱Computer-Aided Drug Discovery影響因子(影響力)學科排名
書目名稱Computer-Aided Drug Discovery網(wǎng)絡公開度
書目名稱Computer-Aided Drug Discovery網(wǎng)絡公開度學科排名
書目名稱Computer-Aided Drug Discovery被引頻次
書目名稱Computer-Aided Drug Discovery被引頻次學科排名
書目名稱Computer-Aided Drug Discovery年度引用
書目名稱Computer-Aided Drug Discovery年度引用學科排名
書目名稱Computer-Aided Drug Discovery讀者反饋
書目名稱Computer-Aided Drug Discovery讀者反饋學科排名
作者: 遍及 時間: 2025-3-21 21:00
Mathematics Education in the Digital Erah experimental FBDD to significantly improve the efficiency and success rate of lead discovery and optimization. In this chapter, we describe the protocols of computational FBDD, the recent advances in new algorithms and some successful examples. Both the advantages and the limitations of various computational methods are also discussed.作者: compassion 時間: 2025-3-22 00:55 作者: Adulterate 時間: 2025-3-22 07:14 作者: 言外之意 時間: 2025-3-22 09:50
Agida G. Manizade,Nils Buchholtz,Kim Beswickthe iteratively derived knowledge-based scoring function and the ensemble docking method. In this chapter, we describe the methodology and usage of MDock for molecular docking and in silico screening. The MDock suite is freely available to academic users through applications at ..作者: BRAWL 時間: 2025-3-22 13:07
Investment Appraisal: Cost-Benefit Analysisly, we review several case studies to show what sort of information can be gained by simulation of biomedically interesting proteins, and how that may impact drug discovery, as well as a discussion of some areas in which simulation may prove more useful in the near future.作者: BRAWL 時間: 2025-3-22 18:07
Molecular Dynamics Simulations and Computer-Aided Drug Discovery,ly, we review several case studies to show what sort of information can be gained by simulation of biomedically interesting proteins, and how that may impact drug discovery, as well as a discussion of some areas in which simulation may prove more useful in the near future.作者: inquisitive 時間: 2025-3-23 00:30 作者: 官僚統(tǒng)治 時間: 2025-3-23 04:36 作者: DAMN 時間: 2025-3-23 08:45
Managing Quality in Public Servicesr practical approaches. This chapter summarizes basic principles and common techniques underlying ensemble docking, illustrates its use with several examples, and concludes with suggestions for future improvements.作者: Apraxia 時間: 2025-3-23 12:25
The Rise and Evolution of PAYG-Systems,mbined with other drug discovery software. In this chapter, we introduce the computational methods and protocols used in CAVITY, and use examples to further illustrate the detailed procedures of how to apply this computational software.作者: mosque 時間: 2025-3-23 14:50
https://doi.org/10.1007/978-3-030-53925-2, estimating the binding energy of the ligands, conformational sampling, analysis of molecular interactions, deriving partial charges, and generating quantitative structure-activity relationship (QSAR) models.作者: theta-waves 時間: 2025-3-23 19:26 作者: B-cell 時間: 2025-3-24 02:12 作者: Chagrin 時間: 2025-3-24 03:50
Applications of the Fragment Molecular Orbital Method to Drug Research,, estimating the binding energy of the ligands, conformational sampling, analysis of molecular interactions, deriving partial charges, and generating quantitative structure-activity relationship (QSAR) models.作者: obnoxious 時間: 2025-3-24 07:18
https://doi.org/10.1007/978-1-4939-3521-5Computational technologies; Structure prediction; Fragment-based drug design; CADD; Binding site mapping作者: 無聊點好 時間: 2025-3-24 12:51 作者: CUMB 時間: 2025-3-24 15:30
Wei ZhangFeatures practical, hands-on instruction for the use of CADD systems.Includes tips from experts in the field to ensure successful implementation.Focuses on the vital early stages of the drug discovery作者: Musket 時間: 2025-3-24 19:24 作者: defray 時間: 2025-3-25 02:06 作者: 歸功于 時間: 2025-3-25 03:58 作者: 因無茶而冷淡 時間: 2025-3-25 07:39
Managing Quality in Public Servicesdrugs can bind to different ensembles of conformations of these receptors. Reliably predicting to which conformations of a receptor a compound might bind well calls for the proper account of receptor flexibility. Researchers have developed various computational methods to deal with this aspect of dr作者: MITE 時間: 2025-3-25 12:02 作者: –LOUS 時間: 2025-3-25 19:54
The Rise and Evolution of PAYG-Systems,definition of known binding site and the detection of a novel site can provide valuable information for drug design efforts. CAVITY is developed for the detection and analysis of ligand-binding site(s). It has the capability of detecting potential binding site as well as estimating both the ligandab作者: BANAL 時間: 2025-3-25 21:34 作者: Thyroid-Gland 時間: 2025-3-26 03:35
Agida G. Manizade,Nils Buchholtz,Kim Beswickevelopment, protein–ligand docking methods have been widely used for in silico screening of molecular libraries for drug candidates, serving as a valuable tool in structure-based drug design. MDock is a protein–ligand docking suite originally released from our laboratory in 2007, which incorporates 作者: Interlocking 時間: 2025-3-26 07:07
Chandra Hawley Orrill,Zarina Gearty,Kun Wangiew provides an introduction into the basic concepts and approaches of pharmacophore-based drug design using a practical example. Recently developed approaches and tools for utilizing pharmacophores are also reviewed.作者: fiscal 時間: 2025-3-26 10:21 作者: 夾克怕包裹 時間: 2025-3-26 16:25
https://doi.org/10.1007/978-3-030-53925-2ical (QM) methods are becoming increasingly popular. Theoretically rigorous calculations can be prohibitively computationally expensive and time consuming. These two factors have necessitated the development of faster methods, and the fragment molecular orbital method (FMO) is one such method that h作者: VICT 時間: 2025-3-26 18:09 作者: 太空 時間: 2025-3-26 22:16
Computer-Aided Drug Discovery978-1-4939-3521-5Series ISSN 1557-2153 Series E-ISSN 1940-6053 作者: 生命 時間: 2025-3-27 02:39 作者: ARBOR 時間: 2025-3-27 05:57
Pharmacophore Modeling: Methods and Applications,iew provides an introduction into the basic concepts and approaches of pharmacophore-based drug design using a practical example. Recently developed approaches and tools for utilizing pharmacophores are also reviewed.作者: 永久 時間: 2025-3-27 11:58 作者: 潔凈 時間: 2025-3-27 17:30 作者: Canary 時間: 2025-3-27 17:46
Mathematics Education in the Digital Eratal detection of binding interfaces can provide a wealth of information, but is time consuming and sometimes inaccurate. Computational methods can validate and complement experimental studies in a cost-efficient way. In this chapter we present a short survey of computational methods that have been s作者: 使熄滅 時間: 2025-3-27 23:13 作者: opprobrious 時間: 2025-3-28 05:36 作者: Gourmet 時間: 2025-3-28 07:39
A Review of Evolutionary Algorithms for Computing Functional Conformations of Protein Molecules,amics and Monte Carlo. The focus of this review is on a third emerging template, stochastic optimization under the umbrella of evolutionary computation. Algorithms based on such a template, also known as evolutionary algorithms, are showing promise in addressing fundamental computational challenges 作者: 欲望 時間: 2025-3-28 14:17
Understanding Water and Its Many Roles in Biological Structure: Ways to Exploit a Resource for Drugcomplexes, modeling ionization state ensembles in complex environments, enumerating putative small-molecule tautomers in complexes, and predicting the location of important bridging waters are provided. These factors are summarized in terms of their potential effects on drug discovery projects.作者: intercede 時間: 2025-3-28 16:18 作者: Iniquitous 時間: 2025-3-28 20:52 作者: 系列 時間: 2025-3-29 00:13
Molecular Dynamics Simulations and Computer-Aided Drug Discovery,ibility, and dynamics. These simulations, especially when combined with virtual screening, have been a tool in drug discovery. Herein, we cover the basics of molecular dynamics simulation, in the hopes that a reader would be able to intelligently conduct a simulation of their favorite protein(s), an作者: MUMP 時間: 2025-3-29 06:37 作者: 觀察 時間: 2025-3-29 07:13
Incorporating Receptor Flexibility into Structure-Based Drug Discovery,drugs can bind to different ensembles of conformations of these receptors. Reliably predicting to which conformations of a receptor a compound might bind well calls for the proper account of receptor flexibility. Researchers have developed various computational methods to deal with this aspect of dr作者: 考得 時間: 2025-3-29 13:39
Understanding Water and Its Many Roles in Biological Structure: Ways to Exploit a Resource for Drugas well understood on a molecular scale. In this methods report, the theoretical basis for a computational framework that focuses on water is described. The framework is HINT (for Hydropathic INTeractions) and is a related series of algorithms and methods for probing and modeling the hydrophobic eff作者: Albumin 時間: 2025-3-29 16:41 作者: Pde5-Inhibitors 時間: 2025-3-29 19:44
Methods for Detecting Protein Binding Interfaces,cture and the functionality of proteins are closely related to each other, characterizing the structural and dynamical properties of protein complexes through experiments or computational modeling is important for understanding their roles in the basic biology of organisms. Certain specific regions 作者: 礦石 時間: 2025-3-30 03:44 作者: STANT 時間: 2025-3-30 04:45
