Editors: Subhash C. Basak, Guillermo Restrepo, José L. Villaveces

Advances in Mathematical Chemistry and Applications

Volume 2

eBook: US $89 Special Offer (PDF + Printed Copy): US $166
Printed Copy: US $122
Library License: US $356
ISSN: 2542-369X (Print)
ISSN: 2352-7668 (Online)
ISBN: 978-1-68108-053-6 (Print)
ISBN: 978-1-68108-052-9 (Online)
Year of Publication: 2015
DOI: 10.2174/97816810805291150201

Introduction

Advances in Mathematical Chemistry and Applications highlights the emerging discipline of mathematical chemistry, or, more precisely, discrete mathematical chemistry.

Each volume is written by internationally renowned experts in their respective fields and comprises of the wise integration of mathematical and chemical concepts which provide essential mathematical chemistry knowledge and cover numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology and ecological health.

The contents of the second volume include chapters on mathematical structural descriptors of molecules and biomolecules, topological representation of molecular structure, drug design, protein folding models, molecular docking, periodicity and many more.

This eBook is a valuable resource for MSc and PhD students, academic personnel and researchers seeking updated and critically important information on the fundamental concepts of mathematical chemistry and their applications.

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

Foreword

- Pp. i
Lemont B. Kier
Download Free

Preface

- Pp. iii-v (3)
Subhash C. Basak, Guillermo Restrepo, José L. Villaveces
Download Free

List of Contributors

- Pp. vii-ix (3)
Subhash C. Basak, Guillermo Restrepo, José L. Villaveces
Download Free

Acknowledgements

- Pp. xi
Subhash C. Basak, Guillermo Restrepo, José L. Villaveces
Download Free

Topological Efficiency Approach to Fullerene Stability - Case Study with C<sub>50</sub>

- Pp. 3-23 (21)
Ante Graovac, Ali Reza Ashrafi, Ottorino Ori
View Abstract

Similarity in Chemical Reaction Networks: Categories, Concepts and Closures

- Pp. 24-54 (31)
Andrés Bernal, Eugenio Llanos, Wilmer Leal, Guillermo Restrepo
View Abstract

Discrimination of Small Molecules Using Topological Molecular Descriptors

- Pp. 55-73 (19)
Chandan Raychaudhury, Debnath Pal
View Abstract

The Periodicity of Molecules

- Pp. 74-95 (22)
Fanao Kong, Weiqiang Wu, Na Ji, C. L. Calson
View Abstract

The GRANCH Techniques for Analysis of DNA, RNA and Protein Sequences

- Pp. 96-124 (29)
Ashesh Nandy
View Abstract

Linear Regression, Model Averaging, and Bayesian Techniques for Predicting Chemical Activities from Structure

- Pp. 125-147 (23)
Jarad B. Niemi, Gerald J. Niemi
View Abstract

Marine Algal Toxicity Models with Dunaliella tertiolecta: In Vivo and In Silico

- Pp. 148-178 (31)
Melek T. Saçan, Marjana Novic, M. Doğa Ertürk, Nikola Minovski
View Abstract

Anti-Tubercular Drug Designing Using Structural Descriptors

- Pp. 179-190 (12)
Manish C. Bagchi, Payel Ghosh
View Abstract

Integrating Bioinformatics and Systems Biology for Exploring Novel Lipid Pathways in Infectious Diseases

- Pp. 191-220 (30)
Sonali Shinde, Vineetha Mandlik, Shailza Singh
View Abstract

Applications of Molecular Docking and Molecular Dynamics on the Inhibition of Quorum Sensing Systems

- Pp. 221-242 (22)
Santiago Medina, Susana Casas, Mariana Restrepo, Alejandro Alvarez, Adriana J. Bernal, Andrés Fernando González Barrios
View Abstract

Designing Models for Metalloenzymes

- Pp. 243-264 (22)
James F. Weston
View Abstract

The Multi-Factor Coupled Protein Folding: Insights from Molecular Dynamics Simulations

- Pp. 265-299 (35)
Xiaomin Wu, Gang Yang, Lijun Zhou
View Abstract

Generalized Topologies: Hypergraphs, Chemical Reactions, and Biological Evolution

- Pp. 300-328 (29)
Christoph Flamm, Bärbel M. R. Stadler, Peter F. Stadler
View Abstract

Subject Index

- Pp. 329-334 (6)
Subhash C. Basak, Guillermo Restrepo, José L. Villaveces
Download Free

RELATED BOOKS

.DFT Based Studies on Bioactive Molecules.
.Frontiers in Computational Chemistry.
.Advances in Mathematical Chemistry and Applications.