Editors: Zaheer Ul-Haq , Angela K. Wilson

Frontiers in Computational Chemistry

Volume 5

eBook: US $89 Special Offer (PDF + Printed Copy): US $151
Printed Copy: US $107
Library License: US $356
ISSN: 2352-944X (Print)
ISSN: 2352-9458 (Online)
ISBN: 978-981-14-5777-7 (Print)
ISBN: 978-981-14-5779-1 (Online)
Year of Publication: 2020
DOI: 10.2174/97898114577911200501

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 fifth volume of this series features these six chapters:

- Recent Advances and Role of Computational Chemistry in Drug Designing and Development on Viral Diseases

- Molecular Modeling Applied to Design of Cysteine Protease Inhibitors – A Powerful Tool for the Identification of Hit Compounds Against Neglected Tropical Diseases

- Application of Systems Biology Methods in Understanding the Molecular Mechanism of Signalling Pathways in the Eukaryotic System

- Implementation of the Molecular Electrostatic Potential over GPUs: Large Systems as Main Target

- Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry

- Frontier Molecular Orbital Approach to the Cycloaddition Reactions

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):
Amit Lochab
Department of Chemistry
Kirori Mal College, University of Delhi
Delhi
India


Aditya Rao S.J.
Department of Plant Cell Biotechnology
CSIR-Central Food Technological Research Institute
Mysuru
India


Anjandeep Kaur
Department of Chemistry
Government Mohindra College Patiala
Patiala
India


Edeildo Ferreira da Silva-Júnior
Chemistry and Biotechnology Institute
Federal University of Alagoas
Maceió
Brazil
/
Laboratory of Medicinal Chemistry
Pharmaceutical Sciences Institute, Federal University of Alagoas
Maceió
Brazil


Igor José dos Santos Nascimento
Chemistry and Biotechnology Institute
Federal University of Alagoas
Maceió
Brazil


João Xavier de Araújo-Júnior
Laboratory of Medicinal Chemistry
Pharmaceutical Sciences Institute, Federal University of Alagoas
Maceió
Brazil


J. César Cruz
Departamento de Química
Universidad Autónoma Metropolitana-Iztapalapa
México


Jorge Garza
Departamento de Química
Universidad Autónoma Metropolitana-Iztapalapa
México


Luis R. Domingo
Department of Organic Chemistry
University of Valencia
Valencia
Spain


M. Paramesha
Department of Plant Cell Biotechnology
CSIR-Central Food Technological Research Institute
Mysuru
India
/
Department of Food Technology
Davangere University
Karnataka
India


Nivedita Acharjee
Department of Chemistry
Durgapur Government College
West Bengal, India


Paulo Fernando da Silva Santos-Júnior
Chemistry and Biotechnology Institute
Federal University of Alagoas
Maceió
Brazil


Ponciano García-Gutierrez
Departamento de Química
Universidad Autónoma Metropolitana-Iztapalapa
México


Rakhi Thareja
Department of Chemistry
St. Stephens College, University of Delhi
Delhi
India


Rafael A. Zubillaga
Departamento de Química
Universidad Autónoma Metropolitana-Iztapalapa
México


Reena Saxena
Department of Chemistry
Kirori Mal College, University of Delhi
Delhi, India


Rubicelia Vargas
Departamento de Química
Universidad Autónoma Metropolitana-Iztapalapa
México


Sangeeta D. Gadre
Department of Physics
Kirori Mal College, University of Delhi
Delhi
India


Thiago Mendonça de Aquino
Chemistry and Biotechnology
Federal University of Alagoas
Maceió
Brazil




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