(PDF) Multi-Scale Approaches in Drug Discovery by Alejandro Speck-Planche

This is the PDF eBook version for Multi-Scale Approaches in Drug Discovery – From Empirical Knowledge to In silico Experiments and Back by Alejandro Speck-Planche

Table of Contents

1. Profiling Drug Binding by Thermodynamics: Key to Understanding 2. Machine Learning Approach to Predict Enzyme Subclasses 3. Multitasking Model for Computer-Aided Design and Virtual Screening of Compounds With High Anti-HIV Activity and Desirable ADMET Properties 4. Alkaloids From the Family Menispermaceae: A New Source of Compounds Selective for ß-Adrenergic Receptors 5. Natural Chemotherapeutic Agents for Cancer 6. Speeding Up the Virtual Design and Screening of Therapeutic Peptides: Simultaneous Prediction of Anticancer Activity and Cytotoxicity 7. Flavonoids From Asteraceae as Multitarget Source of Compounds Against Protozoal Diseases 8. Quasi-SMILES as a Novel Tool for Prediction of Nanomaterials’ Endpoints