Editors: Zaheer Ul-Haq, Jeffry D. Madura

Frontiers in Computational Chemistry

Volume 2

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: 978-1-60805-979-9 (Print)
ISBN: 978-1-60805-978-2 (Online)
Year of Publication: 2015
DOI: 10.2174/97816080597821150201

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 Second volume of this series features nine different articles covering topics such as antibacterial drug discovery, high throughput screening, computational biochemistry with deMon2k, lipid bilayer analysis and much more.

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

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):
A. Alvarez-Ibarra
Departamento de Química
Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional
Av. Instituto Politécnico Nacional 2508
A. P. 14-740 México, D.F. 07000
México


A. Goursot
Institut Charles Gerhardt Montpellier
UMR5253 CNRS
ENSCM/UM2/UM1, 8 rue de l'Ecole Normale
34296 Montpellier Cedex 5
France


A. M. Köster
Departamento de Química
Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional
Av. Instituto Politécnico Nacional 2508
A. P. 14-740 México, D.F. 07000
México


A. Vela
Departamento de Química
Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional
Av. Instituto Politécnico Nacional 2508
A. P. 14-740 México, D.F. 07000
México


Raschi Ana B.
General Chemistry Inorganic Chemistry Institute
Faculty of Biochemistry, Chemistry and Pharmacy, National of Tucuman University
Ayacucho 471, (4000).
San Miguel de Tucumán
Tucumán
Argentina


B. Zuniga-Gutierrez
Departamento de Química
Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional
Av. Instituto Politécnico Nacional 2508
A. P. 14-740 México, D.F. 07000
México


Bhabesh Chandra Deka
Department of Chemistry
Arya Vidyapeeth College
Assam-781016
India


C.Z. Gómez-Castro
Departamento de Química
Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional
Av. Instituto Politécnico Nacional 2508
A. P. 14-740 México, D.F. 07000
México


Carlos Polanco González
Departamento de Matemáticas, Facultad de Ciencias
Universidad Nacional Autónoma de México. Cd. Universitaria
04510 México
D.F. México
/
Subdirección de Epidemiología Hospitalaria y Control de Calidad de la Atención Médica
Instituto Nacional de Ciencias Médicas y Nutrición Salvador Zubirán
Vasco de Quiroga 15
Col. Sección XVI
D.F. México


D. R. Salahub
Department of Chemistry
Centre for Molecular Simulation and Institute for Quantum Science and Technology
University of Calgary 2500 University Drive NW
Calgary
Alberta
Canada T2N1N4


E. Laudadio
Dipartimento di Scienze della Vita e dell’Ambiente (DISVA)
Università Politecnica delle Marche
via Brecce bianche
60128 Ancona
Italy


Elida Romano
General Chemistry, Inorganic Chemistry Institute
Faculty of Biochemistry, Chemistry and Pharmacy, National of Tucuman University
Ayacucho 471, (4000).
San Miguel de Tucumán. Tucumán
Argentina


Gabriel del Rio
Computer Science Department
Instituto Nacional de Astrofísica
Óptica y Electrónica
Puebla
Puebla
México


J.M. Vásquez-Pérez
Departamento de Química
Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional
Av. Instituto Politécnico Nacional 2508
A. P. 14-740 México, D.F. 07000
México


Jianwei Che
Genomics Institute of the Novartis Research Foundation
10675 John Jay Hopkins Drive
San Diego
California 92121
USA


Kazutaka Hirakawa
Department of Applied Chemistry and Biochemical Engineering
Graduate School of Engineering Shizuoka University
Japan


Kunal Roy
Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology
Jadavpur University
Kolkata 700032
India
/
Manchester Institute of Biotechnology
University of Manchester
Manchester M1 7DN
Great Britain


L. Massaccesi
Dipartimento di Scienze della Vita e dell’Ambiente (DISVA)
Università Politecnica delle Marche
via Brecce bianche
60128 Ancona
Italy


María V. Castillo
General Chemistry, Inorganic Chemistry Institute
Faculty of Biochemistry, Chemistry and Pharmacy, National of Tucuman University
Ayacucho 471, (4000).
San Miguel de Tucumán. Tucumán
Argentina


Miguel Arias-Estrada
Computer Science Department
Instituto Nacional de Astrofísica
Óptica y Electrónica
Puebla
Puebla
México


Nabajit Sarmah
Department of Chemistry
Arya Vidyapeeth College
Assam-781016
India


P. Calaminici
Departamento de Química
Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional
Av. Instituto Politécnico Nacional 2508
A. P. 14-740 México, D.F. 07000
México


Pradip Kr. Bhattacharyya
Department of Chemistry
Arya Vidyapeeth College
Assam-781016
India


R. Galeazzi
Dipartimento di Scienze della Vita e dell’Ambiente (DISVA)
Università Politecnica delle Marche
via Brecce bianche
60128 Ancona
Italy


R. Grande-Aztatzi
Departamento de Física Aplicada
Centro de Investigación y de Estudios Avanzados
Unidad Mérida, Km. 6 Antigua Carretera a Progreso, A.P. 73 Cordemex
Mérida 97310
Yucatán
México


Rafik Karaman
Bioorganic Chemistry Department
Faculty of Pharmacy Al-Quds University
P.O. Box 20002
Jerusalem
Palestine


Silvia A. Brandán
General Chemistry, Inorganic Chemistry Institute
Faculty of Biochemistry, Chemistry and Pharmacy, National of Tucuman University
Ayacucho 471, (4000).
San Miguel de Tucumán
Tucumán
Argentina


Sourab Sinha
Department of Chemistry
Arya Vidyapeeth College
Assam- 781016
India


Supratik Kar
Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology
Jadavpur University
Kolkata 700032
India


T. Mineva
Institut Charles Gerhardt Montpellier
UMR5253 CNRS, ENSCM/UM2/UM1
8 rue de l'Ecole Normale
34296 Montpellier Cedex 5
France


Yang Zhong
Genomics Institute of the Novartis Research Foundation
10675 John Jay Hopkins Drive
San Diego
California 92121
USA


Zuojun Guo
Genomics Institute of the Novartis Research Foundation
10675 John Jay Hopkins Drive
San Diego
California 92121
USA




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.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).