Computational Molecular modelling in Structural Biology, Volume 113, the latest release in the Advances in Protein Chemistry and Structural Biology, highlights new advances in the field, with this new volume presenting interesting chapters on charting the Bromodomain BRD4: Towards the Identification of Novel Inhibitors with Molecular Similarity and Receptor Mapping, and Computational Methods to Discover Compounds for the Treatment of Chagas Disease.
1. Cover image - p. iv 2. Title page - p. iv 3. Table of Contents - p. iv 4. Copyright - p. iv 5. Contributors - p. vii 6. Preface - p. ix 7. Chapter One: Combined Quantum Mechanics and Molecular Mechanics Studies of Enzymatic Reaction Mechanisms - p. ix 8. Chapter Two: Computational Methods for Efficient Sampling of Protein Landscapes and Disclosing Allosteric Regions - p. 32 9. Chapter Three: Computational Methods for Epigenetic Drug Discovery: A Focus on Activity Landscape Modeling - p. 63 10. Chapter Four: The OECD Principles for (Q)SAR Models in the Context of Knowledge Discovery in Databases (KDD) - p. 83 11. Chapter Five: Computational Methods to Discover Compounds for the Treatment of Chagas Disease - p. 117
Computational Molecular modelling in Structural Biology, Volume 113, the latest release in the Advances in Protein Chemistry and Structural Biology, highlights new advances in the field, with this new volume presenting interesting chapters on charting the Bromodomain BRD4: Towards the Identification of Novel Inhibitors with Molecular Similarity and Receptor Mapping, and Computational Methods to Discover Compounds for the Treatment of Chagas Disease.
1. Cover image - p. iv 2. Title page - p. iv 3. Table of Contents - p. iv 4. Copyright - p. iv 5. Contributors - p. vii 6. Preface - p. ix 7. Chapter One: Combined Quantum Mechanics and Molecular Mechanics Studies of Enzymatic Reaction Mechanisms - p. ix 8. Chapter Two: Computational Methods for Efficient Sampling of Protein Landscapes and Disclosing Allosteric Regions - p. 32 9. Chapter Three: Computational Methods for Epigenetic Drug Discovery: A Focus on Activity Landscape Modeling - p. 63 10. Chapter Four: The OECD Principles for (Q)SAR Models in the Context of Knowledge Discovery in Databases (KDD) - p. 83 11. Chapter Five: Computational Methods to Discover Compounds for the Treatment of Chagas Disease - p. 117
