Reviews in Computational Chemistry, Volume 11

Volume 11 Auflage
ISBN: 978-0-471-19248-0
Verlag: Wiley

Buch, Englisch, 431 Seiten, Format (B × H): 161 mm x 240 mm, Gewicht: 847 g

Volume 11 Reviews in Computational Chemistry Kenny B. Lipkowitz and Donald B. Boyd The Theme of this Eleventh Volume is Computer-Aided Ligand Design and Modeling of Biomolecules. A Stellar Group of Scientists from Around the World Join in this Volume to Provide Tutorials for Beginners and Experts. Chapters 1 and 2 Take A Detailed Look at De Novo Design Methodologies for Discovering New Ligands which May Become Pharmaceuticals. Chapters 3 and 4 Cover the Methods and Applications of Three-Dimensional Quantitative Structure-Activity Relationships (3D-QSAR) Currently Used in Drug Discovery. Ways to Compute the Correct Lipophilic/Hydrophilic Behavior of Molecules are Taught in Chapter 5. Chapter 6 is an Exposition of Realistically Simulating DNA in the Complex Milieu of Ions that Surround it. An Appendix to this Volume Gives A Compendium of Software and Internet Tools for Computational Chemistry. -From Reviews of the Series. This Well-Respected Series Continues the Fine Selection of Topics and Presentation Qualities Set Forth by the Previous Members. For Example, Each Chapter Contains Thorough Treatment of the Theory Behind the Topic Being Covered. Moreover, the Background Material is Followed by Ample Timely Examples Culled From Recent Literature. Journal of Medicinal Chemistry

Autoren/Hrsg.

Lipkowitz, Kenny B

Boyd, Donald B

Fachgebiete

• Technische Wissenschaften Technik Allgemein Computeranwendungen in der Technik
• Naturwissenschaften Chemie Chemie Allgemein Chemometrik, Chemoinformatik
• Mathematik | Informatik EDV | Informatik Angewandte Informatik Computeranwendungen in Wissenschaft & Technologie

Inhaltsverzeichnis

Recent Advances in Ligand Design Methods;
Current Issues in De Novo Molecular Design;
Theoretical and Practical Aspects of Three-Dimensional Quantitative Structure-Activity Relationships;
Approaches to Three-Dimensional Quantitative Structure-Activity Relationships;
Computational Approaches to Lipophilicity: Methods and Applications;
Treatment of Counterions in Computer Simulations of DNA;
Molecular Dynamics with General Holonomic Constraints and Application to Internal Co-ordinate Constraints;
Appendix;
Indexes.

Recent Advances in Ligand Design Methods (M. Murcko).

Current Issues in De Novo Molecular Design (D. Clark, et al.).

Theoretical and Practical Aspects of Three-Dimensional Quantitative Structure-Activity Relationships (T. Oprea & C. Waller).

Approaches to Three-Dimensional Quantitative Structure-Activity Relationships (G. Greco, et al.).

Computational Approaches to Lipophilicity: Methods and Applications (P. Carrupt, et al.).

Treatment of Counterions in Computer Simulations of DNA (G. Ravishanker, et al.).

Appendix.

Indexes.

Über Autor(innen)

Kenny B. Lipkowitz, PhD, is a retired Professor of Chemistry from North Dakota State University.

Donald B. Boyd was apponted Research Professor of Chemistry at Indiana University - Purdue University Indianapolis in 1994. He has published over 100 refereed journal papers and book chapters.