Concepts and experimental protocols of modelling and informatics in drug design. (2020)

• Record Type: Book
• Further Information: Note: Om Silakari, Pankaj Kumar Singh.
• Authors: Silakari, Om; Singh, Pankaj Kumar
• Contents: 1. Fundamentals of molecular modeling; 2. Descriptor calculations for QSAR models; 3. Development of Hansch models and their validation; 4. QSAR model generation using Free Wilson approach; 5. QSAR model generation using mixed approach; 6. Exploration of protein databases for the selection and analysis of protein structure; 7. Utilization of protein sequence alignment tools; 8. Preparation of Homology modelled protein structures; 9. Molecular docking analysis for drug-receptor interactions; 10. 3D QSAR analysis; 11. Pharmacophore modeling for drug targets; 12. Molecular Dynamic simulations; 13. Data retrieval system; 14. Molecular surfaces; 15. Freewares and Online servers
• Publisher Details: Amsterdam : Academic Press
• Publication Date: 2020
• Extent: 1 online resource, illustrations (black and white, and colour)
• Subjects: 615.1900285; Drugs -- Computer-aided design; Bioinformatics
• Languages: English
• ISBNs: 9780128205471
• Related ISBNs: 9780128205464
• Notes: Note: Description based on CIP data; resource not viewed.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.