標題: Titlebook: Application of Computational Techniques in Pharmacy and Medicine; Leonid Gorb,Victor Kuz‘min,Eugene Muratov Book 2014 Springer Science+Bus [打印本頁] 作者: 營養(yǎng)品 時間: 2025-3-21 16:22
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書目名稱Application of Computational Techniques in Pharmacy and Medicine網(wǎng)絡公開度學科排名
書目名稱Application of Computational Techniques in Pharmacy and Medicine被引頻次
書目名稱Application of Computational Techniques in Pharmacy and Medicine被引頻次學科排名
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書目名稱Application of Computational Techniques in Pharmacy and Medicine年度引用學科排名
書目名稱Application of Computational Techniques in Pharmacy and Medicine讀者反饋
書目名稱Application of Computational Techniques in Pharmacy and Medicine讀者反饋學科排名
作者: neutrophils 時間: 2025-3-21 23:59
Application of Computational Techniques in Pharmacy and Medicine作者: GLUT 時間: 2025-3-22 01:54
Book 2014lize hybrid, so called QM/MM approximations as well as the results of the QSAR studies which now are the most popular in predicting drugs’ efficiency. The last chapters describe combined computational and experimental investigations.作者: 假裝是我 時間: 2025-3-22 04:40
2542-4491 ch now are the most popular in predicting drugs’ efficiency. The last chapters describe combined computational and experimental investigations.978-94-024-0696-2978-94-017-9257-8Series ISSN 2542-4491 Series E-ISSN 2542-4483 作者: menopause 時間: 2025-3-22 08:50 作者: Pedagogy 時間: 2025-3-22 13:40
https://doi.org/10.1057/9780230598850xternal sources as food supplements. Certain endogenous anti-oxidants present in biological systems inhibit the formation of reactive free radicals while others, particularly those taken from outside, scavenge the same through appropriate chemical reactions. The molecular mechanisms of action of sev作者: 圓錐體 時間: 2025-3-22 19:13
https://doi.org/10.1057/9780230598850n of pol–inhibitor complexes and free energy decomposition analysis are useful tools to improve the quality of structural analysis of pol–inhibitor interactions as well as selectivity of pols’ inhibitors developed .. Extended application of these methods is principle tendency in modern rational desi作者: 草率女 時間: 2025-3-22 22:30
https://doi.org/10.1007/978-3-030-53989-4on along with the details of intramolecular interactions in 2′-deoxyribonucleotide anions. The results of our molecular simulations cast light on relationship between the conformational dynamics of a molecule and the tautomeric transitions in the components of nucleotides.作者: Infirm 時間: 2025-3-23 02:58
https://doi.org/10.1007/978-94-6300-755-9d interactions. In this chapter we review the current state of the art in experimental and molecular dynamics simulation study of the short peptide–membrane interactions. As an example we consider in more detail the application of molecular dynamic simulations on the study of interaction of a model 作者: Harass 時間: 2025-3-23 09:05 作者: Insulin 時間: 2025-3-23 12:51 作者: Angiogenesis 時間: 2025-3-23 17:10 作者: 補充 時間: 2025-3-23 18:22
Formation of DNA Lesions, its Prevention and Repair,xternal sources as food supplements. Certain endogenous anti-oxidants present in biological systems inhibit the formation of reactive free radicals while others, particularly those taken from outside, scavenge the same through appropriate chemical reactions. The molecular mechanisms of action of sev作者: PHIL 時間: 2025-3-23 23:58 作者: Paleontology 時間: 2025-3-24 05:59 作者: Palpitation 時間: 2025-3-24 10:14
Molecular Dynamics Simulations of Lipid Bilayers with Incorporated Peptides,d interactions. In this chapter we review the current state of the art in experimental and molecular dynamics simulation study of the short peptide–membrane interactions. As an example we consider in more detail the application of molecular dynamic simulations on the study of interaction of a model 作者: regale 時間: 2025-3-24 10:42
Consensus Drug Design Using IT Microcosm,f the parameters of description are used in the construction of the prediction regularities. The integral decision rules are constructed by generalizing the spectrum of primary prediction estimates using different levels and types of consensus. In this chapter, we describe the paradigm of IT Microco作者: MUT 時間: 2025-3-24 18:17 作者: arcane 時間: 2025-3-24 20:14
2542-4491 and experimental approach.Interdisciplinary focus of intereThe proposed volume provides both fundamental and detailed information about the computational and computational-experimental studies which improve our knowledge of how leaving matter functions, the different properties of drugs (including 作者: 噴油井 時間: 2025-3-25 00:51 作者: ALE 時間: 2025-3-25 05:13
https://doi.org/10.1007/978-94-6300-755-9ach to investigate the strength and structural properties these complexes. The extraction of main structural factors responsible for complexing activity allows to design new ligands for calcium ions, being helpful in the kidney stones treatment.作者: 倫理學 時間: 2025-3-25 07:45
Dance and Philosophy: Phrasing an Entrance diverse chemical datasets, (ii) the unique opportunities offered by . for designing molecules with the desired properties and expanding the use of cheminformatics in novel areas of research, and (iii) some innovative approaches that are likely to shape the future of cheminformatics.作者: 性冷淡 時間: 2025-3-25 14:36
Hybrid QM/MM Methods: Treating Electronic Phenomena in Very Large Molecular Systems,ch theses methods are based on, is given. The advantages, flaws, and limitations of each type of methods are exposed. A special emphasis is put on the Local Self-Consistent Field method, developed in our group. The latest developments are detailed and illustrated by chosen examples.作者: 慢跑 時間: 2025-3-25 16:38
Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supportach to investigate the strength and structural properties these complexes. The extraction of main structural factors responsible for complexing activity allows to design new ligands for calcium ions, being helpful in the kidney stones treatment.作者: 參考書目 時間: 2025-3-25 21:08
Cheminformatics: At the Crossroad of Eras, diverse chemical datasets, (ii) the unique opportunities offered by . for designing molecules with the desired properties and expanding the use of cheminformatics in novel areas of research, and (iii) some innovative approaches that are likely to shape the future of cheminformatics.作者: Decongestant 時間: 2025-3-26 00:44 作者: excursion 時間: 2025-3-26 06:12 作者: ITCH 時間: 2025-3-26 11:54
The Future of Morality Theory and Research,e chapter. Along with an overview of existing approaches we give examples of the practical application of computer programs GUSAR, PASS and PharmaExpert to assess the general toxicity and toxic properties of individual drug-like compounds and drug combinations.作者: AND 時間: 2025-3-26 12:57
A Performance Transcription Exercise,ed in this chapter, followed by its application to building regression 3D-QSAR models and conducting virtual screening based on one-class classification models. The main directions of the further development of this approach are outlined at the end of the chapter.作者: 負擔 時間: 2025-3-26 16:48
,Density Functional Theory Calculations of Enzyme–Inhibitor Interactions in Medicinal Chemistry and nzyme–substrate interactions. These examples have been analyzed in the current review. A rapid development of new efficient calculation routines makes it possible to increase the role of the DFT methods in medicinal chemistry in the nearest future.作者: Genome 時間: 2025-3-26 23:11
Computational Toxicology in Drug Discovery: Opportunities and Limitations,e chapter. Along with an overview of existing approaches we give examples of the practical application of computer programs GUSAR, PASS and PharmaExpert to assess the general toxicity and toxic properties of individual drug-like compounds and drug combinations.作者: Strength 時間: 2025-3-27 01:53 作者: Assault 時間: 2025-3-27 08:07
Past Action and Ethical Orientation,ummarizes results of quantum chemical investigation of epoxides transformation mechanisms in alkaline, neutral and acidic environments. Special attention has been paid to stereo- and regiochemistry of the processes, influence of solvation effects and nature of catalytic action of mono- and bidentate acids.作者: A精確的 時間: 2025-3-27 09:41
Embodying Distorted Hot Cognition,and their ligand binding are discussed in the review. We mainly focus on quantum chemical computational approaches to model the interaction of G4 DNA and its structural elements with metal cations and small molecules, including hybrid QM/MM approaches.作者: conspicuous 時間: 2025-3-27 16:12
Quantum Chemical Approaches in Modeling the Structure of DNA Quadruplexes and Their Interaction witand their ligand binding are discussed in the review. We mainly focus on quantum chemical computational approaches to model the interaction of G4 DNA and its structural elements with metal cations and small molecules, including hybrid QM/MM approaches.作者: Spangle 時間: 2025-3-27 19:30
Quantum-Chemical Investigation of Epoxidic Compounds Transformation. Application for , and , Procesummarizes results of quantum chemical investigation of epoxides transformation mechanisms in alkaline, neutral and acidic environments. Special attention has been paid to stereo- and regiochemistry of the processes, influence of solvation effects and nature of catalytic action of mono- and bidentate acids.作者: 遣返回國 時間: 2025-3-27 22:19
https://doi.org/10.1057/9780230598850 of theoretician chemists to study electronic phenomena in large molecular systems. In this contribution, a focus, on the Physics and Chemistry on which theses methods are based on, is given. The advantages, flaws, and limitations of each type of methods are exposed. A special emphasis is put on the作者: arcane 時間: 2025-3-28 06:00
https://doi.org/10.1057/9780230598850nds (antitumour antibiotics, mutagens etc.) with nucleic acids (NA). The applications of various biophysical methods and computer modeling to determination of structural (Infra-red and Raman vibrational spectroscopies, computer modeling by means of Monte-Carlo, molecular docking and molecular dynami作者: 他日關(guān)稅重重 時間: 2025-3-28 09:25
https://doi.org/10.1057/9780230598850ation of DNA lesions caused due to the reactions of DNA with certain free radicals known as reactive oxygen species (ROS) and reactive nitrogen oxide species (RNOS). Some of these free radicals are constantly formed in biological systems during the metabolic activities while others can be ascribed t作者: Hot-Flash 時間: 2025-3-28 12:11
https://doi.org/10.1057/9780230598850rtance of DNA pols makes them to be attractive targets for specific low-molecular weight inhibitors, which can be used (and are actually used) as molecular tuning tools in molecular biology investigations, and as antineoplastic and antiviral drugs as well. Detailed comprehension of structural insigh作者: Metastasis 時間: 2025-3-28 17:40 作者: 發(fā)展 時間: 2025-3-28 21:01
Embodying Distorted Hot Cognition,acked arrays of guanine quartets connected by non-canonical hydrogen bonds. Novel anticancer strategy is based on the use of organic molecules that specifically target quadruplex structures present in telomeres and some other regions of the genome. We provide a brief overview of the structural featu作者: 敏捷 時間: 2025-3-28 23:50
Springer Series on Cultural Computingup to several hundreds of atoms, studying of reaction pathways and calculating precisely reaction energy values. The usage of the DFT approach for studying enzyme–substrate interactions could be a prospective way for elaborating new efficient enzyme inhibitors. This is a direct way to discovery of n作者: 范例 時間: 2025-3-29 05:02 作者: 耕種 時間: 2025-3-29 09:34 作者: PUT 時間: 2025-3-29 14:56
Past Action and Ethical Orientation,thods are restricted by the fixation of source compounds, intermediates and products of reactions, quantum chemical calculations serve as the only direct approach for prediction of the structure and energy of transition states thus clarifying detailed mechanisms of chemical reactions. This chapter s作者: Indigence 時間: 2025-3-29 17:01 作者: RACE 時間: 2025-3-29 22:31 作者: QUAIL 時間: 2025-3-30 01:55 作者: clarify 時間: 2025-3-30 07:04
https://doi.org/10.1057/9780230306561membrane permeability characteristics and broadly allows the prediction of the rate-limiting step in the intestinal absorption process following oral administration. When combined with the .dissolution characteristics of the drug product, the BCS takes into account three major factors: solubility, i作者: 分開如此和諧 時間: 2025-3-30 09:49
Dance and Philosophy: Phrasing an Entranceormatics. In particular, we describe (i) both theoretical and technical challenges related to the management, analysis, and visualization of large and diverse chemical datasets, (ii) the unique opportunities offered by . for designing molecules with the desired properties and expanding the use of ch作者: 抗原 時間: 2025-3-30 13:10 作者: 令人悲傷 時間: 2025-3-30 18:15
https://doi.org/10.1007/978-94-017-9257-8Computational Biology; Computational Techniques; Drug Design; Molecular Pharmacology; QSAR
