Computational approaches in supramolecular chemistry / edited by Georges Wipff.

Format:

Book

Conference/Event

Contributor:

Wipff, Georges.

North Atlantic Treaty Organization. Scientific Affairs Division.

Conference Name:

NATO Advanced Research Workshop on Computational Approaches in Supramolecular Chemistry (1993 : Bischenberg, France)

Series:

NATO ASI series. Mathematical and physical sciences ; Series C, no. 426.

NATO ASI series. Series C, Mathematical and physical sciences ; vol. 426

Language:

English

Subjects (All):

Macromolecules--Structure--Data processing--Congresses.

Macromolecules--Structure.

Macromolecules.

Genre:

Conference papers and proceedings.

Physical Description:

xv, 531 pages : illustrations ; 25 cm.

Place of Publication:

Dordrecht ; Boston : Kluwer Academic, [1994]

Summary:

This book provides a broad presentation of computer and molecular modeling approaches in supramolecular chemistry. Since it has evolved from a NATO meeting which brought together half computer scientists' and half experimentalists', experimental results are also presented. Computations mostly involve molecular mechanics, molecular dynamics, Monte Carlo, free energy simulations, and computer graphics. Applications extend from synthetic or biological receptor-substrate or host-guest complexes to molecular assemblies, such as layers, membranes, channels, and mesomorphic phases. Gas phase clusters, crystals and liquids, adsorption in chromatography, and drug design are also presented. The book is aimed at the many scientists interested in the atomic level understanding and modeling of the structural and thermodynamical features involved in the processes of molecular recognition and supramolecular organization in chemistry, physics, and biology, involving noncovalent binding interactions.

Notes:

"Published in cooperation with NATO Scientific Affairs Division."

"Proceedings of the NATO Advanced Research Workshop on Computational Approaches in Supramolecular Chemistry 'The Bischenberg' (near Strasbourg), France September 1-5, 1993"--T.p. verso.

Includes bibliographical references.

ISBN:

0792327675

OCLC:

29913285