Editors: Zaheer Ul-Haq , Angela K. Wilson

Frontiers in Computational Chemistry

Volume 4

eBook: US $129 Special Offer (PDF + Printed Copy): US $220
Printed Copy: US $155
Library License: US $516
ISSN: 2352-944X (Print)
ISSN: 2352-9458 (Online)
ISBN: 978-1-68108-442-8 (Print)
ISBN: 978-1-68108-441-1 (Online)
Year of Publication: 2018
DOI: 10.2174/97816810844111180401

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 fourth volume of this series features five chapters covering natural lead compounds, computer aided drug discovery methods in Parkinson’s Disease therapy, studies of aminoacyl tRNA synthetase inhibition in bacteria, computational modeling of halogen bonds in biological systems and molecular classification of caffeine and its metabolites.

Contributors

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


Angela K. Wilson
Department of Chemistry
Michigan State University
East Lansing
MI
USA




Contributor(s):
Aliuska Morales Helguera
Molecular Simulation and Drug Design Group, Centro de Bioactivos Químicos (CBQ)
Universidad Central “Marta Abreu” de Las Villas
Santa Clara
Cuba


Aminael Sánchez-Rodríguez
Departamento de Ciencias Naturales
Universidad Técnica Particular de Loja
Calle París S/N, EC1101608 Loja
Ecuador


Amrita Saha
Department of Chemistry
University of Kalyani
Kalyani, Nadia, West Bengal
India


Cesar Paz-y-Miño
Instituto de Investigaciones Biomédicas (IIB)
Universidad de Las Américas
Quito
Ecuador


Dev Bukhsh Singh
Department of Biotechnology, Institute of Biosciences and Biotechnology
Chhatrapati Shahu Ji Maharaj University
Kanpur
India


Eduardo Tejera
Instituto de Investigaciones Biomédicas (IIB)
Universidad de Las Américas
Quito
Ecuador


Evys Ancede-Gallardo
Molecular Simulation and Drug Design Group, Centro de Bioactivos Químicos (CBQ)
Universidad Central “Marta Abreu” de Las Villas
Santa Clara
Cuba


Fernanda Borges
CIQUP/Departamento de Química e Bioquímica, Faculdade de Ciências
Universidade do Porto
Porto
Portugal


Francisco Torrens
Institut Universitari de Ciència Molecular
Universitat de València, Edifici d’Instituts de Paterna
València
Spain


Gloria Castellano
Departamento de Ciencias Experimentales y Matemáticas, Facultad de Veterinaria y Ciencias Experimentales
Universidad Católica de Valencia San Vicente Mártir
València
Spain


Marta Teijeira-Bautista
Departamento de Química Orgánica, Facultade de Química
Universidade de Vigo
Vigo
Spain
/
Instituto de Investigación Biomédica (IVIB)
Universidade de Vigo
Vigo
Spain


María F. Moreno
Departamento de Ciencias Naturales
Universidad Técnica Particular de Loja
Calle París S/N, EC1101608 Loja
Ecuador


M. Natália D. S. Cordeiro
REQUIMTE, Department of Chemistry and Biochemistry, Faculty of Sciences
University of Porto
Porto
Portugal


Maykel Cruz-Monteagudo
Instituto de Investigaciones Biomédicas (IIB)
Universidad de Las Américas
Quito
Ecuador
/
CIQUP/Departamento de Química e Bioquímica, Faculdade de Ciências
Universidade do Porto
Porto
Portugal


Nilashis Nandi
Department of Chemistry
University of Kalyani
Kalyani, Nadia, West Bengal
India


Paulo J. Costa
Centro de Química e Bioquímica, DQB, Faculdade de Ciências
Universidade de Lisboa
Lisboa
Portugal


Rafael Nunes
Centro de Química e Bioquímica, DQB, Faculdade de Ciências
Universidade de Lisboa
Lisboa
Portugal


Saheb Dutta
Department of Chemistry
University of Kalyani
Kalyani, Nadia, West Bengal
India


Soumya Kundu
Department of Chemistry
University of Kalyani
Kalyani, Nadia, West Bengal
India


Stellamaris Sotomayor-Burneo
Sección Físico Química y Matemáticas, Departamento de Química
Universidad Técnica Particular de Loja
San Cayetano Alto S/N, EC1101608 Loja
Ecuador


Yunierkis Perez-Castillo
Sección Físico Química y Matemáticas, Departamento de Química
Universidad Técnica Particular de Loja
San Cayetano Alto S/N, EC1101608 Loja
Ecuador
/
Molecular Simulation and Drug Design Group, Centro de Bioactivos Químicos (CBQ)
Universidad Central “Marta Abreu” de Las Villas
Santa Clara
Cuba




RELATED BOOKS

.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).