(Ilmumisaeg: 22-Aug-2024, Hardback, Kirjastus: John Wiley & Sons Inc, ISBN-13: 9781118941348)
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Density-functional theory (DFT) is a computational modelling tool used to describe molecules and materials. Different functions are used to determine the properties of electrons and molecules in solids. It is the most widely used method in electronic...Loe edasi...
Written by the leading experts and active practitioners from across the world, this book provides a comprehensive review of the fundamentals and practical applications of atomistic simulations of inorganic glasses. After providing a concise overvi...Loe edasi...
This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It...Loe edasi...
This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It...Loe edasi...
Computational Molecular modelling in Structural Biology, Volume 113, the latest release in the Advances in Protein Chemistry and Structural Biology, highlights new advances in the field, with this new volume presenting interes...Loe edasi...
This book is a collection of select proceedings of the FOMMS 2015 conference. FOMMS 2015 was the sixth triennial FOMMS conference showcasing applications of theory of computational quantum chemistry, molecular science, and engineering simulati...Loe edasi...
(Ilmumisaeg: 23-Mar-2015, Hardback, Kirjastus: Springer-Verlag Berlin and Heidelberg GmbH & Co. K, ISBN-13: 9783662464014)
Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point...Loe edasi...
(Ilmumisaeg: 11-Oct-2013, Other digital carrier, Kirjastus: Wiley-VCH Verlag GmbH, ISBN-13: 9783527677016)
Systematically examining current methods and strategies, this ready reference covers a wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and nucleic acids, in line with emerging new drug classes derived from biomac...Loe edasi...
Sari: Theoretical and Computational Chemistry Series
(Ilmumisaeg: 03-Jun-2013, Hardback, Kirjastus: Royal Society of Chemistry, ISBN-13: 9781849736084)
Metabolomics is an emerging field and this is the first book to present chromatographic techniques in metabolomics in a fundamental way. Sample preparation and quality control are crucial aspects which are described in detail. Uniquely, guidelin...Loe edasi...
Sari: Progress in Theoretical Chemistry and Physics
(Ilmumisaeg: 06-Aug-2008, Hardback, Kirjastus: Springer-Verlag New York Inc., ISBN-13: 9781402081880)
This is a self-contained advanced review offering step by step derivation of the consistent theoretical picture of hybrid modeling methods and the thorough analysis of the concepts and current practical methods of hybrid modeling based on this the...Loe edasi...
saadame teile pakkumise kasutatud raamatule, mille hind võib erineda kodulehel olevast hinnast
Proteins and their ligands have evolved to perform particular and specific biological functions, claim Schneider (cheminformatics and bioinformatics, Johann Wolfgang Goethe U., Frankfurt) and Baringhaus, a drug designer for an international company,...Loe edasi...
Dramatically Accelerate the Biomolecular Simulation Process Without Losing AccuracyReal-Time Biomolecular Simulations provides you with proven strategies for shortening the time between product research, breakthrough, and introductio...Loe edasi...
Kevin Naidoo, John Brady, Martin Field, Jiali Gao, Michael Hann
Sari: Special Publications
(Ilmumisaeg: 27-Sep-2006, Hardback, Kirjastus: Royal Society of Chemistry, ISBN-13: 9780854046683)
Computational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area of science. Using these methods to study the structure, dynamics and reactivity of biomacromolecules in solution, com...Loe edasi...
Chemists in various specialties and from many countries offer perspectives on virtual screening, which uses computational tools to identify biologically active molecules against specific targets for potential new drugs. The also cover compound and hi...Loe edasi...
(Ilmumisaeg: 08-Aug-2003, Hardback, Kirjastus: John Wiley & Sons Ltd, ISBN-13: 9780470843093)
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Presenting a concise, basic introduction to modelling and computational chemistry this text includes relevant introductory material to ensure greater accessibility to the subject. Provides a comprehensive introduction to this evolving and...Loe edasi...
(Ilmumisaeg: 08-Aug-2003, Paperback / softback, Kirjastus: John Wiley & Sons Ltd, ISBN-13: 9780470843109)
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Molecular Modelling for Beginners is a self contained introduction to modelling and computational chemistry. Assuming only a basic knowledge of physical chemistry, physics and mathematics, relevant introductory material is provided to ensure greater...Loe edasi...
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CAMD or Computer Aided Molecular Design refers to the design of molecules with desirable properties. That is, through CAMD, one determines molecules that match a specified set of (target) properties. CAMD as a technique has a very large potential as...Loe edasi...
This important new edition is for graduate students studying Molecular Modelling, Computational Chemistry within Chemistry, Medicinal Chemistry and Biochemistry. Postgraduates and researchers in academia and in the chemical and pharmaceutical i...Loe edasi...
saadame teile pakkumise kasutatud raamatule, mille hind võib erineda kodulehel olevast hinnast
Molecular modeling has assumed an important role in understanding the three-dimensional aspects of specificity in drug-receptor interactions at the molecular level. Well-established in pharmaceutical research, molecular modeling offers unprecedented...Loe edasi...
saadame teile pakkumise kasutatud raamatule, mille hind võib erineda kodulehel olevast hinnast
The computer-aided design of novel molecular systems has undoubtedly reached the stage of a mature discipline offering a broad range of tools available to virtually any chemist. However, there are few books coveringmost of these techniques in a singl...Loe edasi...
