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Bioinformatics drug discovery

Quantitative tools are becoming increasingly important in order to understand complex cascade of signal transduction events, pathways or biochemical reactions. The book showcases how computational techniques and algorithms are applied to biological data analysis, interpretation, and modelling. It covers applications in drug design and discovery, immune systems, phylogenetic analysis and protein structures.

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Biochemistry of Atherosclerosis

Advances in Biochemistry in Heath and Disease presents state-of-the-art discussions in cutting-edge biochemical research, offering exciting developments that impact healthcare and disease research. Volumes in the series focus on cross-disciplinary biomedical research and examine various topics in biochemistry, cell biology, molecular biology, and biomedicine. Biochemistry of Atherosclerosis examines atherosclerosis in great detail, focusing on the risk of atherosclerosis, and the biochemical pathways involved. It provides a breadth of knowledge as well as new insights into a variety of topics relating to atherosclerosis from leading scientists around the world who are at the forefront of atherosclerosis research. Biochemistry of Atherosclerosis is essential reading for biomedical and clinical researchers.

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Amino acid biosynthesis : Pathways, regulation and metabolic engineering

Amino Acids Biosynthesis presents the current knowledge of fundamental as well as applied microbiology of amino acids. Topics discussed are the amino acid biosynthetic pathways, their genetic and biochemical regulation, transport of amino acids and genomics of producing microorganisms. The characterization of the control mechanisms of amino acid biosynthesis has revealed insights into principles of genetic and biochemical regulation, such as transcriptional regulators and a new class of regulatory elements, the riboswitch. The volume further deals with the metabolic engineering of microorganisms for the biotechnological production of amino acids for use as pharmaceuticals and, particularly, as food and feed additives.

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AI in drug discovery

Constitutes the refereed proceedings of the First international workshop on ai in Drug Discovery, AIDD 2024, held as a part of the 33rd International Conference on Artificial Neural Networks, ICANN 2024, in Lugano, Switzerland, on September 19, 2024. These papers focus on various aspects of the rapidly evolving field of Artificial Intelligence (AI)-driven drug discovery in chemistry, including Big Data and advanced Machine Learning, eXplainable AI (XAI), Chemoinformatics, Use of deep learning to predict molecular properties, Modeling and prediction of chemical reaction data and Generative models.

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Liquid Crystalline Functional Assemblies and Their Supramolecular Structures

This book presents critical reviews of the present position and future trends in modern chemical research concerned with chemical structure and bonding. It contains short and concise reports, each written by the world's renowned experts.

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Links between geological processes, microbial activities & evolution of life : Microbes and geology

Microbial activities influence water-rock interaction processes and chemical transport between the major geochemical reservoirs and the formation/transformation of minerals and rocks, whereas geological processes and geochemical controls influence the microbial ecology in extreme environments. How biological activity influences geological processes and what role these processes played in the geological evolution of the Earth are fundamental questions.

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Chemoinformatics : Theory, Practice, & Products

Chemoinformatics: Theory, Practice & Products covers theory, commercially available packages and applications of Chemoinformatics. Chemoinformatics is broadly defined as the use of information technology to assist in the acquisition, analysis and management of data and information relating to chemical compounds and their properties.The book also provides a summary of currently available, state-of-the-art, commercial Chemoinformatics products, with a specific focus on databases, toolkits, and modelling technologies designed for drug discovery.

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Chemistry from First Principles

This book examines the appearance of matter in its most primitive form, from the vacuum and the diversity that results from the fusion of elementary units in the genesis of atomic matter; considers the empirical rules of chemical affinity that regulate the synthesis and properties of molecular matter; analyzes the compatibility of the theories of chemistry with the quantum and relativity theories of physics; formulates a consistent theory, based on clear physical pictures and manageable mathematics, to account for chemical concepts such as the structure and stability of atoms and molecules, the periodicity of nuclides and elements, valence states, activation and chemical reactivity, electronegativity and general covalency, the exclusion principle, electronic energy, orbital angular momentum and spin in relation to molecular shape, torsional rigidity, chirality and molecular modeling; explains the self-similarity between space-time, nuclear structure, covalent assembly, biological growth, planetary systems and galactic conformation.

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Chemical Reactor Modeling : Multiphase Reactive Flows

Chemical Reactor Modeling closes the gap between Chemical Reaction Engineering and Fluid Mechanics. It presents the fundamentals of the single-fluid and multi-fluid models for the analysis of single- and multiphase reactive flows in chemical reactors with a chemical reactor engineering rather than mathematical bias.

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Chemical Kinetics and Reaction Dynamics

Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: *Detailed stereochemical discussions of reaction steps *Classical theory based calculations of state-to-state rate constants *A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes.

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Biomineralization II : Mineralization Using Synthetic Polymers and Templates

In nature, biological organisms produce mineralized tissues such as bone, teeth, diatoms, and shells. Biomineralization is the sophisticated process of production of these inorganic minerals by living organisms. Construction of organic–inorganic hybrid materials with controlled mineralization analogous to those produced by nature has recently received much attention because it can aid in understanding the mechanisms of the biomineralization process and development of biomimetic materials processing. The biomineralization processes use aqueous solutions at temperatures below 100 ◦C and no toxic intermediates are produced in these systems. This series presents critical reviews of the present position and future trends in modern chemical research. The short and concise reports on chemistry are each written by world renowned experts. This series is still valid and useful after 5 or 10 years.

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Biology and mechanics of blood flows ; Part I : Biology

Biology and Mechanics of Blood Flows presents the basic knowledge and state-of-the-art techniques necessary to carry out investigations of the cardiovascular system using modeling and simulation. Part I of this two-volume sequence, Biology, addresses the nanoscopic and microscopic scales. The nanoscale corresponds to the scale of biochemical reaction cascades involved in cell adaptation to mechanical stresses among other stimuli. The microscale is the scale of stress-induced tissue remodeling associated with acute or chronic loadings. The cardiovascular system, like any physiological system, has a complicated three-dimensional structure and composition. Its time dependent behavior is regulated, and this complex system has many components.

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Bioactive Conformation I

This series presents critical reviews of the present position and future trends in modern chemical research. It contains short and concise reports on chemistry, each written by the world renowned experts – it is still valid and useful after 5 or 10 years. More information as well as the electronic version of the whole content available at: springerlink.com. The book will appeal to scientists and practitioners in the mentioned fields and in industry.

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Atmospheric Aerosol Properties : Formation, Processes and Impacts

An increasing interest in studies of atmospheric aerosols in the context of their impact on the formation of climate, heterogeneous chemical reactions in the atmosphere affecting in particular the environmental quality, problems of visibility and human health is the cause of unusual scales of developments connected with studies of atmospheric aerosols. The necessity has arisen to analyze the latest results concerning, first of all, three aspects of the problems considered: 1. aerosol properties from data of complex field observational experiment; 2. processes of aerosol formation and interaction of aerosol with clouds, 3. aerosol as a climate-forming atmospheric component (including the problem of long-range transport). The monograph in hand is dedicated mainly to the problems of the impact of aerosol on climate processes in the atmosphere, from microphysical processes of formation and evolution of aerosol properties to the formation of macro-scale cloud sytems on aerosol particles.

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Anthracycline Chemistry and Biology II : Mode of Action, Clinical Aspects and New Drugs

This series presents critical reviews of the present position and future trends in modern chemical research. It contains short and concise reports on chemistry, each written by the world renowned experts. The series is still valid and useful after five or ten years. More information as well as the electronic version of the whole content is available at: springerlink.com.

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Analysis and Control of Ultrafast Photoinduced Reactions

 The present monograph summarizes, in a comprehensive way, several years of joint experimental and theoretical frontier research on ultrafast laser-induced molecular dynamics and its control. Emphasis is set on the characterization of the nuclear dynamics within molecular systems in various environments (gas phase, surfaces, solids, solution, strong fields) triggered by optical excitations spanning from the infrared to the ultraviolet. Building on the converged analysis between experiment and theory, control of chemical reactions is established by means of optimally shaped laser pulses. This paves the road toward new applications and future challenges in this rapidly developing research field.

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Amplification of Chirality

Amplification of Chirality presents critical reviews of the present position and future trends in modern chemical research. The book contains short and concise reports on chemistry. Each is written by the world renowned experts. Still valid and useful after 5 or 10 years, more information as well as the electronic version of the whole content available at: springerlink.com.

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