Leach, A: Molecular Modelling
(Sprache: Englisch)
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 industries....
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Klappentext zu „Leach, A: Molecular Modelling “
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 industries. This new edition introduces background theory and techniques of molecular modelling, also illustrates applications in studying physical, chemical and biological phenomena. It includes simple numerical examples and numerous explanatory figures and a colour plate section.
Inhaltsverzeichnis zu „Leach, A: Molecular Modelling “
Preface. Symbols and physical constants. 1. Useful Concepts in Molecular Modelling. 2. An Introduction to Computational Quantum Mechanics. 3. Advanced AB Initio Methods, Density Functional Theory and Solid-State Quantum Mechanics. 4. Force Field Models: Molecular Mechanics. 5. Energy Minimisation and Related Methods for Exploring the Energy Surface. 6. Computer Simulation Methods. 7. Molecular Dynamics Simulation Methods. 8. Monte Carlo Simulation Methods. 9. Conformational Analysis. 10. Protein Structure Prediction, Sequence Analysis and Protein Folding. 11. Four Challenges in Molecular Modelling: Free Energies, Solvation, Reactions and Solid-State Defects. 12. The Use of Molecular Modelling and Chemoinformatics to Discover and Design New Molecules.
Autoren-Porträt von Andrew R. Leach
"Dr. Andrew Leach" is a Group Leader in Computational Chemistry and Informatics at Glaxo Wellcome Research and Development.
Bibliographische Angaben
- Autor: Andrew R. Leach
- 2. A., 768 Seiten, Maße: 17,2 x 23,3 cm, Kartoniert (TB), Englisch
- Verlag: Prentice Hall
- ISBN-10: 0582382106
- ISBN-13: 9780582382107
- Erscheinungsdatum: 30.01.2001
Sprache:
Englisch
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