Frontiers in computational chemistry. Volume 3. / edited by Zaheer Ul-Haq Qasmi & Dr. Jeff Madura.

Format:

Book

Contributor:

Qasmi, Zaheer Ul-Haq, editor.

Madura, Jeff, editor.

Language:

English

Subjects (All):

Chemistry--Mathematics.

Chemistry.

Chemistry--Congresses.

Physical Description:

1 online resource (372 pages) : illustrations

Place of Publication:

Sharjah, United Arab Emirates : Bentham Science Publishers, 2017.

Summary:

Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The third volume of this series features four chapters covering in silico approaches to computer aided drug design, modeling of platinum and adjuvant anti-cancer drugs, allostery in proteins and studies on the theory of chemical space in electron systems.

Contents:

Silico Approaches for Drug Discovery and Development

Computational Chemistry Assisted Design and Screening of Ligand-Solvent Systems for Metal Ion Separation

Molecular Mechanisms of Cellular Transport, Resistance and Cytotoxic Side Effects of Platinum and Adjuvant Anti-cancer Drugs – A Molecular Orbital Study

Elucidating Allosteric Communications in Proteins via Computational Methods

Information-Theoretic Representation of the Chemical Space of Many Electron Systems

Notes:

Includes bibliographical references and index.

Description based on online resource; title from PDF title page (ebrary, viewed March 20, 2017).

ISBN:

1-68108-167-9