Editors: Zaheer Ul-Haq, Jeffry D. Madura

Frontiers in Computational Chemistry

Volume 1

eBook: US $165 Special Offer (PDF + Printed Copy): US $247
Printed Copy: US $165
Library License: US $660
ISSN: 2352-944X (Print)
ISSN: 2352-9458 (Online)
ISBN: 978-1-60805-865-5 (Print)
ISBN: 978-1-60805-864-8 (Online)
Year of Publication: 2015
DOI: 10.2174/97816080586481150101


Computational chemistry is a very diverse field spanning from the development and application of linear free energy relationships (QSAR, QSPR), to electronic structure calculations, molecular dynamics simulations, and to solving coupled differential equations (e.g. drug metabolism). 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 first volume this eBook series brings together eight different articles detailing the application of computational methods towards drug design.

Indexed in: Book Citation Index, Science Edition, BIOSIS Previews, EBSCO.


.Frontiers in Computational Chemistry.
.Advances in Mathematical Chemistry and Applications.
.Advances in Mathematical Chemistry and Applications.
.Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition).