Editors: Zaheer Ul-Haq, Jeffry D. Madura

Frontiers in Computational Chemistry

Volume 3

eBook: US $165 Special Offer (PDF + Printed Copy): US $280
Printed Copy: US $198
Library License: US $660
ISSN: 2352-944X (Print)
ISSN: 2352-9458 (Online)
ISBN: 978-1-68108-168-7 (Print)
ISBN: 978-1-68108-167-0 (Online)
Year of Publication: 2017
DOI: 10.2174/97816810816701170301

Introduction

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.

Contributors

Editor(s):
Zaheer Ul-Haq
Panjwani Center for Molecular Medicine & Drug Research
International Center for Chemical & Biological Sciences
University of Karachi
Pakistan


Jeffry D. Madura
Department of Chemistry & Biochemistry
Center for Computational Sciences Duquesne University
Pittsburgh
USA




Contributor(s):
Anil Boda
Chemical Engineering Division
Bhabha Atomic Research Centre
Mumbai
India


Ashish Kumar Singha Deb
Chemical Engineering Division
Bhabha Atomic Research Centre
Mumbai
India


Burak Alakent
Department of Chemical Engineering
Bogazici University
Istanbul
Turkey


Clifford W. Fong
Eigenenergy, Adelaide
South Australia
Australia


C. Soriano-Correa
Qu´ımica Computacional, FES-Zaragoza
Universidad Nacional Aut´onoma de M´exico
09230-Iztapalapa, M´exico, D.F
Mexico


J.C. Angulo
Instituto Carlos I de F´ısica Te´orica y Computacional
Universidad de Granada
18071-Granada
Spain
/
Departamento de F´ısica At´omica, Molecular y Nuclear
Universidad de Granada
18071-Granada
Spain


J.S. Dehesa
Instituto Carlos I de F´ısica Te´orica y Computacional
Universidad de Granada
18071-Granada
Spain
/
Departamento de F´ısica At´omica, Molecular y Nuclear
Universidad de Granada
18071-Granada
Spain


KalsankaTrivikram Shenoy
Chemical Engineering Division
Bhabha Atomic Research Centre
Mumbai
India


M. Molina-Esp´ıritu
Departamento de Qu´ımica
Universidad Aut´onoma Metropolitana
09340-M´exico, D.F.
M´exico


Pooja Sahu
Chemical Engineering Division
Bhabha Atomic Research Centre
Mumbai
India


R.O. Esquivel
Departamento de Qu´ımica
Universidad Aut´onoma Metropolitana
09340-M´exico, D.F.
M´exico
/
Instituto Carlos I de F´ısica Te´orica y Computacional
Universidad de Granada
18071-Granada
Spain


S. L´opez-Rosa
Instituto Carlos I de F´ısica Te´orica y Computacional
Universidad de Granada
18071-Granada
Spain
/
Departamento de F´ısica Aplicada II
Universidad de Sevilla
41012-Sevilla
Spain


Srinivasaraghavan Kannan
Bioinformatics Institute
A STAR, Singapore 138671



Sk. Musharaf Ali
Chemical Engineering Division
Bhabha Atomic Research Centre
Mumbai
India


Thomas Leonard Joseph
Bioinformatics Institute
A STAR, Singapore 138671



Vasanthanathan Poongavanam
Department of Physics, Chemistry and Pharmacy
University of Southern Denmark
Campusvej 55, DK-5230, Odense M
Denmark


Vigneshwaran Namasivayam
Department of Life Science Informatics, B-IT
Rheinische Friedrich-Wilhelms-Universitaet, Dahlmannstr
2, 53113 Bonn
Germany


Z. Nevin Gerek Ince
Institute for Genomics and Evolutionary Medicine
Temple University
Philadelphia
USA




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