Reviews in Computational Chemistry, Volume 9

Kenny B. Lipkowitz, Donald B. Boyd (Herausgeber)

Buch | Hardcover

316 Seiten

1996
Wiley-VCH Publishers Inc.,U.S. (Verlag)
978-0-471-18639-7 (ISBN)

Artikel merken

A select group of scientists from around the world join in this volume to create unique chapters aimed at both the novice molecular modeler and the expert computational chemist. Chapter 1 shows how molecular modeling of peptidomimetics plays a key role in drug discovery. Specific examples of successful computer-aided drug design are spelled out. Chapter 2 is a definitive exposition on thermodynamic perturbation and thermodynamic integration approaches in molecular dynamics simulations. Three additional chapters elucidate molecular modeling of carbohydrates, the best empirical force fields to use in molecular mechanics, and molecular shape as a useful quantitative descriptor.

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.

Peptide Mimetic Design with the Aid of Computational Chemistry.

Free Energy by Molecular Simulation.

The Application of Molecular Modeling Techniques to the Determination of Oligosaccaride Solution Conformations.

Molecular Mechanics Calculated Conformational Energies of Organic Molecules -
A Comparison of Force Fields.

Molecular Shape Descriptors.

Indexes.

Erscheint lt. Verlag	8.8.1996
Reihe/Serie	Reviews in Computational Chemistry ; 9 \| 1.90
Sprache	englisch
Maße	160 x 242 mm
Gewicht	631 g
Themenwelt	Mathematik / Informatik ► Informatik ► Theorie / Studium
	Naturwissenschaften ► Chemie ► Physikalische Chemie
	Wirtschaft ► Betriebswirtschaft / Management ► Finanzierung
ISBN-10	0-471-18639-2 / 0471186392
ISBN-13	978-0-471-18639-7 / 9780471186397
Zustand	Neuware