Computational Drug Discovery and Design

Computational Drug Discovery and Design

Jagtap, Umesh B.; Gore, Mohini

Springer-Verlag New York Inc.

09/2024

356

Mole

9781071634431

15 a 20 dias

Descrição não disponível.
Computer-Aided Drug Discovery and Design - Recent Advances and Future Prospects.- Virtual Screening Process - A Guide in Modern Drug Designing.- Molecular dynamics as a tool for virtual ligand screening.- Antiviral Drug Target Identification and Ligand Discovery.- GRAMM webserver for protein docking.- Protein-ligand blind docking using CB-Dock2.- Applications of Molecular Dynamics Simulations in Drug Discovery.- Molecular dynamics simulation-based prediction of glycosaminoglycan interactions with drug molecules.- Mining chemogenomic spaces for prediction of drug-target interactions.- Expanding the landscape of amyloid sequences with CARs-DB: a database of polar amyloidogenic peptides from disordered proteins.- Accelerating molecular dynamics simulations for drug discovery.- Exploring the Role of Chemoinformatics in Accelerating Drug Discovery: A Computational Approach. -Recent Deep-Learning Applications to Structure-BasedDrug Design.- Techniques for Developing Reliable Machine Learning Classifiers Applied to Understanding and Predicting Protein:Protein Interaction Hot Spots.- AI driven enhancements in drug screening and optimisation.- Applications of big data and AI-driven technologies in CADD (computer-aided drug design).- Artificial Intelligence in ADME Property Prediction.- Accelerating the discovery and design of antimicrobial peptides with artificial intelligence.
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Computer-aided drug design;Drug target identification;Chemoinformatics;Pharmacokinetics;Lead discovery and optimization;Machine learning