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

Advances in Mathematical Chemistry and Applications

Volume 2

Personal Book: US $89 Special Offer (PDF + Printed Copy): US $166
Printed Copy: US $122
Library Book: US $356
ISSN: 2542-369X
eISSN: 2352-7668 (Online)
ISBN: 978-1-68108-053-6
eISBN: 978-1-68108-052-9 (Online)
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
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Preface

- Pp. iii-v (3)
Subhash C. Basak, Guillermo Restrepo and José L. Villaveces
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List of Contributors

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

- Pp. xi
Subhash C. Basak, Guillermo Restrepo and José L. Villaveces
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Topological Efficiency Approach to Fullerene Stability - Case Study with C<sub>50</sub>

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

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Similarity in Chemical Reaction Networks: Categories, Concepts and Closures

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

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Discrimination of Small Molecules Using Topological Molecular Descriptors

- Pp. 55-73 (19)
Chandan Raychaudhury and Debnath Pal

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The Periodicity of Molecules

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

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

- Pp. 96-124 (29)
Ashesh Nandy

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

- Pp. 125-147 (23)
Jarad B. Niemi and Gerald J. Niemi

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

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

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Anti-Tubercular Drug Designing Using Structural Descriptors

- Pp. 179-190 (12)
Manish C. Bagchi and Payel Ghosh

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

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

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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 and Andrés Fernando González Barrios

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Designing Models for Metalloenzymes

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

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

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

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Generalized Topologies: Hypergraphs, Chemical Reactions, and Biological Evolution

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

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Subject Index

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