Table of Contents
Table of Contents
Preface
Chapter 1
Computational Methods Applied to Food Safety
(Elena Lo Piparo and Benoît Schilter, Nestlé Research Centre, Vers-Chez-Les-Blanc, Lausanne, Switzerland)
Chapter 2
In vivo Test for Food Contaminants and Toxins Evaluation
(N. Rizzi and S. Della Torre, University of Milan, Center of Excellence on Neurodegenerative Diseases and Department of Pharmacological and Biomolecular Sciences, Milan, Italy, and others)
Chapter 3
In-Vitro and In-Silico Models of Digestion: Limitations and Challenges
(Thomas Moxon, Clifford Latty, Ourania Gouseti, Serafim Bakalis, School of Chemical Engineering, The University of Birmingham, UK)
Chapter 4
Polyphenols: From Computer Simulations to Workbench Analysis
(Luca Dellafiora, Luca Calani, Daniele Del Rio, Pietro Cozzini, Department of Food Science, University of Parma, Parma, Italy, and others)
Chapter 5
Inverse Docking Approaches
(Scafuri Bernardina, Facchiano Angelo, Marabotti Anna, Dept. Chemistry and Biology, University of Salerno, Fisciano (SA), Italy, and others)
Chapter 6
Molecular Dynamics: An Emerging Tool For Exploring the Molecular Events in Food Research
(Tiziana Ginex, Constantí Seira, Carolina Estarellas, Axel Bidon-Chanal, F. Javier Luque, Molecular Modeling Laboratory, Department of Food Science, University of Parma, Parma, Italy, and others)
Chapter 7
Incorporating Protein Flexibility in Structure-Based Drug Design
(Francesca Spyrakis and Claudio N Cavasotto, Department of Life Sciences, University of Modena and Reggio Emilia, Modena, Italy, and others)
Chapter 8
How Qsar Changed the World of Drug Design, and Beyond …
(Hardik I. Parikh and Glen E. Kellogg, Department of Medicinal Chemistry, School of Pharmacy, Virginia Commonwealth University, Richmond, VA, USA, and others)
Chapter 9
Constraint-Based Computational Methods for Investigation of Protein Flexibility
(Alessandro Dal Palù, Agostino Dovier, Enrico Pontelli, Dept. of Mathematics and Computer Science, University of Parma, Parma, Italy, and others)
Chapter 10
A Quick Guide to Running Classical Molecular Dynamics on High Performance Computers
(Andrew Emerson, Cineca Supercomputing Centre, Casalecchio di Reno, Italy)
Index