Reviews in Computational Chemistry, Volume 11

ISBN-13: 9780471192480 / Angielski / Twarda / 1997 / 431 str.

Donald B. Boyd; Kenny B. Lipkowitz; Kenny B. Lipkowitz

Opis

Computational chemistry is increasingly used in conjunction with organic, inorganic medicinal, biological, physical, and analytical chemistry, biotechnology, materials science, and chemical physics. This 11-volume set aims to keep readers abreast of developments in computational chemistry.

Spis treści

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.

Blurb

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