標(biāo)題: Titlebook: Computer-Aided Drug Design; Dev Bukhsh Singh Book 2020 The Editor(s) (if applicable) and The Author(s), under exclusive license to Springe [打印本頁] 作者: Detrusor-Muscle 時(shí)間: 2025-3-21 16:16
書目名稱Computer-Aided Drug Design影響因子(影響力)
書目名稱Computer-Aided Drug Design影響因子(影響力)學(xué)科排名
書目名稱Computer-Aided Drug Design網(wǎng)絡(luò)公開度
書目名稱Computer-Aided Drug Design網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Computer-Aided Drug Design被引頻次
書目名稱Computer-Aided Drug Design被引頻次學(xué)科排名
書目名稱Computer-Aided Drug Design年度引用
書目名稱Computer-Aided Drug Design年度引用學(xué)科排名
書目名稱Computer-Aided Drug Design讀者反饋
書目名稱Computer-Aided Drug Design讀者反饋學(xué)科排名
作者: ADAGE 時(shí)間: 2025-3-21 21:38 作者: painkillers 時(shí)間: 2025-3-22 02:24
Molecular Modeling of Proteins: Methods, Recent Advances, and Future Prospects,e approach of molecular modeling is based on the understanding of algorithms of protein structure prediction. This chapter illustrates the salient features of molecular modeling methods for a reliable and accurate structure prediction of the proteins in the field of drug designing.作者: Synapse 時(shí)間: 2025-3-22 06:30
Cavity/Binding Site Prediction Approaches and Their Applications,l titration calorimetry are used to determine the binding site of proteins. For drug discovery, it is inevitable to use high throughput screening of binding sites of proteins, and computational methods give an efficient and cost-effective way of analyzing the same. Several algorithms, tools, and sof作者: 無聊點(diǎn)好 時(shí)間: 2025-3-22 12:07
Database Resources for Drug Discovery,ule equivalence among databases is not possible. Advances in methodology to find molecules with a similar structure are now possible due to the hyperlinking of similar molecules in various databases. This chapter discusses the chemical and molecular target databases in detail, which play a vital rol作者: yohimbine 時(shí)間: 2025-3-22 13:35 作者: yohimbine 時(shí)間: 2025-3-22 19:15
,Molecular Dynamics Simulation of Protein and Protein–Ligand Complexes,ER, CHARMM-GUI, and NAMD are the most widely used methods for MD simulation that can provide precise information on the motions and flexibility of a protein, which contributes to the interaction dynamics of protein–ligand complexes. MD simulation has several other practical applications in diverse r作者: abreast 時(shí)間: 2025-3-22 23:16 作者: Negligible 時(shí)間: 2025-3-23 04:08
Computational Screening Techniques for Lead Design and Development,perties, and the predictive equation has been derived for the assessment of the biological response of a compound using molecular descriptors. Bioinformatics and Cheminformatics database in houses several million of compounds with similar architecture and biological properties. Screening and identif作者: 撫慰 時(shí)間: 2025-3-23 07:03
Advances in Pharmacophore Modeling and Its Role in Drug Designing,g these techniques as well as variations of these techniques, millions of compounds can be screened in a matter of hours to shortlist actives. Variations might be based on building a pharmacophore by the energy contribution of features in a single molecule against a specific target. Otherwise, based作者: 仔細(xì)閱讀 時(shí)間: 2025-3-23 12:09 作者: 案發(fā)地點(diǎn) 時(shí)間: 2025-3-23 16:01
Strategy for an Atomic Monopoly tools available for drug research. Finally, we present case studies conducted in our lab, showing how computational approaches can be implemented in reality for the discovery and designing of novel drugs from natural sources.作者: predict 時(shí)間: 2025-3-23 18:49
https://doi.org/10.1007/978-3-031-18176-4e approach of molecular modeling is based on the understanding of algorithms of protein structure prediction. This chapter illustrates the salient features of molecular modeling methods for a reliable and accurate structure prediction of the proteins in the field of drug designing.作者: amenity 時(shí)間: 2025-3-23 23:42 作者: Cleave 時(shí)間: 2025-3-24 04:24 作者: Enteropathic 時(shí)間: 2025-3-24 10:22
A Praise of Dignity in Educational Practice virtual screening. The calculated scores of free energy of binding (poses) define the active compounds involved in interactions. Different new prospects in docking programs are now being used that more focuses accuracy on molecular interaction energy calculation without stringent parameters. The qu作者: PALMY 時(shí)間: 2025-3-24 10:50 作者: aneurysm 時(shí)間: 2025-3-24 16:33
Program Modification and Debugging,y of the huge amount of molecular data, i.e., big data, for human as well as pathogens with applications of knowledge-based data mining approaches can provide a list of probable drug targets which further can be validated through experiments can save time and cost of pharmaceutical companies and boo作者: 歪曲道理 時(shí)間: 2025-3-24 19:31 作者: 色情 時(shí)間: 2025-3-24 23:27 作者: 得意人 時(shí)間: 2025-3-25 03:50
Depression: Is Rumination Really Adaptive?,ed vaccines. The description of different bioinformatics tools that are available for determining the immunogenic properties, finding of T and B cell epitopes, and in silico tools that are used in vaccine design is given in here. An account of epitope-based vaccine design employing bioinformatics me作者: frenzy 時(shí)間: 2025-3-25 09:50 作者: 縱火 時(shí)間: 2025-3-25 12:43
http://image.papertrans.cn/c/image/234441.jpg作者: 有惡意 時(shí)間: 2025-3-25 16:20 作者: 辯論的終結(jié) 時(shí)間: 2025-3-25 23:04 作者: 孵卵器 時(shí)間: 2025-3-26 02:04
A Praise of Dignity in Educational Practices. These binding molecules, also known as ligands, generally form non-covalent bonds and have transient interactions and dissociate after performing a function. The binding sites are unique and have shape complementarity to its ligands to maintain the specificity and affinity. For example, molecules作者: Offset 時(shí)間: 2025-3-26 05:11
Popular Radios: Constants and Tensionsf suitable experimental data and its use in the form of physiological parameters is a challenging task. Nowadays, ADMET prediction is performed at an early stage of drug designing to remove the pharmacokinetic (PK) property of poor compounds. Various ADMET prediction models have been developed using作者: 缺陷 時(shí)間: 2025-3-26 10:24
A Praise of Dignity in Educational Practicest have certain geometry and physicochemical properties for high binding affinity against a given molecular target. Database searches considering required parameters for biological activity can find molecules suitable for further studies to achieve the desired activity. Chemical databases, as well a作者: HALL 時(shí)間: 2025-3-26 12:44 作者: Acetaminophen 時(shí)間: 2025-3-26 19:02 作者: Occlusion 時(shí)間: 2025-3-26 23:26
Program Modification and Debugging, mostly put pharmaceutical companies on the back foot. For the last two decades, pharmaceutical companies felt that the traditional drug designing process should be optimized to avoid huge financial loss and save time. Thus, despite its limitations, the use of computer-aided drug design (CADD) techn作者: 法律的瑕疵 時(shí)間: 2025-3-27 05:12
Program Modification and Debugging,gy of compounds with a target. To discover new plausible drug candidates, computational chemistry tools are used for studying the absorption, distribution, metabolism, excretion, and toxicity (ADMET) of potential drugs, as well as also decipher the mechanisms of drug action and its interaction mode 作者: SSRIS 時(shí)間: 2025-3-27 06:27 作者: Outshine 時(shí)間: 2025-3-27 13:06 作者: 外形 時(shí)間: 2025-3-27 17:12 作者: phase-2-enzyme 時(shí)間: 2025-3-27 18:41
https://doi.org/10.1007/978-981-15-6815-2Pharmacophore modeling; Lead compounds; Molecular Docking; Molecular Dynamics simulation; Pharmacokineti作者: FIG 時(shí)間: 2025-3-27 23:02
978-981-15-6817-6The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapor作者: gospel 時(shí)間: 2025-3-28 03:22
Computational Approaches in Drug Discovery and Design,f evermore stringent demands about efficacy, potency, and safety, the finding of the new drug-like molecule has become a complex and resource-intensive undertaking. Now, the availability of 3D structures of molecular drug targets and advances in computational approaches and bioinformatics speed up t作者: 鍍金 時(shí)間: 2025-3-28 06:52 作者: Endoscope 時(shí)間: 2025-3-28 12:33 作者: Autobiography 時(shí)間: 2025-3-28 15:15
Role of ADMET Tools in Current Scenario: Application and Limitations,f suitable experimental data and its use in the form of physiological parameters is a challenging task. Nowadays, ADMET prediction is performed at an early stage of drug designing to remove the pharmacokinetic (PK) property of poor compounds. Various ADMET prediction models have been developed using作者: 和藹 時(shí)間: 2025-3-28 19:59
Database Resources for Drug Discovery,st have certain geometry and physicochemical properties for high binding affinity against a given molecular target. Database searches considering required parameters for biological activity can find molecules suitable for further studies to achieve the desired activity. Chemical databases, as well a作者: 共同給與 時(shí)間: 2025-3-29 02:35
Molecular Docking and Structure-Based Drug Design,ical models that would be used by large databases for discovery and virtual screening. Till now, several algorithms have been developed and managed through CADD to study different prospects like protein structure and function prediction, identification of ligands interaction, residues of the active 作者: modifier 時(shí)間: 2025-3-29 05:25 作者: Infantry 時(shí)間: 2025-3-29 07:21
Computational Approaches for Drug Target Identification, mostly put pharmaceutical companies on the back foot. For the last two decades, pharmaceutical companies felt that the traditional drug designing process should be optimized to avoid huge financial loss and save time. Thus, despite its limitations, the use of computer-aided drug design (CADD) techn作者: ELUDE 時(shí)間: 2025-3-29 15:08 作者: Congeal 時(shí)間: 2025-3-29 16:40
Advances in Pharmacophore Modeling and Its Role in Drug Designing, based on a group of known inhibitors to a target. The empirical molecule will contain features that are common to the known inhibitors and specified as donors, acceptors, rings, positively charged, or negatively charged. These five features or a combination of some of these features at specific dis作者: misshapen 時(shí)間: 2025-3-29 22:22 作者: 免費(fèi) 時(shí)間: 2025-3-30 01:45
