Kategoria BISAC: Science >> Chemistry - Computational & Molecular Modeling

This book highlights various aspects of geochemical and geological processes. In brief, it facilitates to understand the geochemical behavior of major, trace and rare earth elements in rocks to identify the magmatic processes involved in present-day magma generation and their relation to global tectonic regimes as well as geothermal studies. Therefore, the book provides a comprehensive view of the generation of magma types (mafic to felsic in composition) and their role in the petrogenesis. The book also covers the development of new geosoftware to effectively process the geochemical data...

This second edition provides new and updated methods and techniques for identification of drug target, binding sites prediction, high- throughput virtual screening, lead discovery and optimization, conformational sampling, prediction of pharmacokinetic properties using computer-based methodologies. Chapters also focus on the application of the latest artificial intelligence technologies for computer aided drug discovery. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists...

Due to the increasing complexity and commercialization of instrumentation, achieving optimum performance in research applications and automated usage can be challenging. For example, a thorough understanding of the instrument can dramatically affect the outcome of the experiment and the generation of...

Protein informatics is a newer name for an already existing discipline. It encompasses the techniques used in bioinformatics and molecular modeling that are related to proteins. While bioinformatics is mainly concerned with the collection, organization, and analysis of biological data, molecular modeling is devoted to representation and manipulation of the structure of proteins.

Protein informatics requires substantial prerequisites on computer science, mathematics, and molecular biology. The approach chosen here, allows a direct and rapid grasp on the subject starting from basic...

Features of this book:

- Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD

- Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers

- Provides chemical reactions,...

Die 2. und erweiterte Auflage dieses Lehrbuches stellt noch praziser, gut lesbar und verstandlich die Grundlagen der Chemischen Thermodynamik dar. Uber 450 Fragen und Aufgaben, u.a. zu idealen und realen Gasen, homogenen und heterogenen chemischen Gleichgewichtsreaktionen, Phasengleichgewichten sowie zur Bioenergetik, dienen den Studierenden als umfassendes Lern- und Ubungsmaterial.