Molecular Docking in Predicting Toxicity and Medicinal Properties. Practical basics in predicting chemical compounds (Software’s, Servers, Project Implementation)

      Аннотация: This book is a compilation book. The authors of this book are experts in the fields of chemistry, biology, and environmental health, who have written this book after years of effort, research, and teaching in the field of molecular interaction. In this book, using different software and servers, how to do molecular docking was taught systematically. In the previous books with this title, the training was general and without details, which caused confusion for the audience. While in this book, based on the project, molecular docking was taught from zero to one hundred using different tools. In addition, in the end, how to analyze the molecular docking results using different software and servers has been taught. This book was written in a simple and fluent language, without the need to read other books and materials. So that the audience is at any level, it can easily examine the interaction between two biological and environmental molecules. This book can be used to predict medicinal properties and to predict the toxicity of substances.

Ключевые слова: Molecular Docking, Toxicological prediction, Drug prediction, Molecular Simulation, Chemistry