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Large-Scale Quantum-Mechanical Enzymology
This work establishes linear-scaling density-functional theory (DFT) as a powerful tool for understanding enzyme catalysis, one that can complement quantum mechanics/molecular mechanics (QM/MM) and molecular dynamics simulations. The thesis reviews benchmark studies demonstrating techniques capable of simulating entire enzymes at the ab initio quantum-mechanical level of accuracy. DFT has trans…
- Edition
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- ISBN/ISSN
- 978-3-319-19351-9
- Collation
- -
- Series Title
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Advance in Structural Bioinformatics
This text examines in detail mathematical and physical modeling, computational methods and systems for obtaining and analyzing biological structures, using pioneering research cases as examples. As such, it emphasizes programming and problem-solving skills. It provides information on structure bioinformatics at various levels, with individual chapters covering introductory to advanced aspects, …
- Edition
- Ed. 1
- ISBN/ISSN
- 978-94-017-9245-5
- Collation
- XI, 383
- Series Title
- Advances in Experimental Medicine and Biology
- Call Number
- 540.1 ADV a
Optimal Operation of Batch Membrane Processes
This study concentrates on a general optimization of a particular class of membrane separation processes: those involving batch diafiltration. Existing practices are explained and operational improvements based on optimal control theory are suggested. The first part of the book introduces the theory of membrane processes, optimal control and dynamic optimization. Separation problems are defined…
- Edition
- 1
- ISBN/ISSN
- 978-3-319-20474-1
- Collation
- XXV, 158
- Series Title
- Advances in Industrial Control
- Call Number
- -
Optimal Covariate Designs
This book primarily addresses the optimality aspects of covariate designs. A covariate model is a combination of ANOVA and regression models. Optimal estimation of the parameters of the model using a suitable choice of designs is of great importance; as such choices allow experimenters to extract maximum information for the unknown model parameters. The main emphasis of this monograph is to sta…
- Edition
- 1
- ISBN/ISSN
- 978-81-322-2460-0
- Collation
- XVII, 221
- Series Title
- -
- Call Number
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Evolutionary Global Optimization, Manifolds and Applications
This book presents powerful techniques for solving global optimization problems on manifolds by means of evolutionary algorithms, and shows in practice how these techniques can be applied to solve real-world problems. It describes recent findings and well-known key facts in general and differential topology, revisiting them all in the context of application to current optimization problems. Spe…
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- ISBN/ISSN
- 978-3-319-26467-7
- Collation
- 17 b/w illustrations, 26 illustrations in colour
- Series Title
- -
- Call Number
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Coordination Chemistry of Silicon
The chemistry of silicon has always been a field of major concern due to its proximity to carbon on the periodic table. From the molecular chemist's viewpoint, one of the most interesting differences between carbon and silicon is their divergent coordination behavior. In fact, silicon is prone to form hyper-coordinate organosilicon complexes, and, as conveyed by reports in the literature, highl…
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- ISBN/ISSN
- 978-3-03897-639-4
- Collation
- -
- Series Title
- -
- Call Number
- 546 INO c
Smart and Functional Polymers
Smart and Functional Polymers”. The collected research and review articles focus on the synthesis and characterization of advanced functional polymers, polymers with specific structures and performances, current improvements in advanced polymer-based materials for various applications, and the opportunities and challenges in the future. The topics cover the emerging synthesis and characteriza…
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- ISBN/ISSN
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- Collation
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- Series Title
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- Call Number
- 546 SMA s
Lanthanide Metal-Organic Frameworks
The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecul…
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- ISBN/ISSN
- 978-3-662-45773-3
- Collation
- -
- Series Title
- -
- Call Number
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Targeting the Broadly Pathogenic Kynurenine Pathway
Tryptophan metabolism via kynurenine pathway plays a critical role in both health and a variety of human diseases. This book highlights the known associations between kynurenine pathway and various disease states, as well as examines the current status of drug development and clinical trials of compounds known to alter tryptophan metabolism. The research plays a critical role in molecular targe…
- Edition
- -
- ISBN/ISSN
- 978-3-319-11870-3
- Collation
- XV, 430
- Series Title
- -
- Call Number
- -
Evolutionary Bioinformatics
Now in its third edition and supplemented with more online material, this book aims to make the "new" information-based (rather than gene-based) bioinformatics intelligible both to the "bio" people and the "info" people. Books on bioinformatics have traditionally served gene-hunters, and biologists who wish to construct family trees showing tidy lines of descent. While dealing extensively with …
- Edition
- -
- ISBN/ISSN
- 978-3-319-28755-3
- Collation
- 92 b/w illustrations, 24 illustrations in colour
- Series Title
- -
- Call Number
- -
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