Computational Drug Discovery and Design

Inbunden, Engelska, 2023

Del 2714 i serien Methods in Molecular Biology

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Beskrivning

This second edition provides new and updated methods and techniques for identification of drug target, binding sites prediction, high- throughput virtual screening, lead discovery and optimization, conformational sampling, prediction of pharmacokinetic properties using computer-based methodologies.

Produktinformation

Utgivningsdatum:2023-09-08
Mått:178 x 254 x 26 mm
Vikt:889 g
Format:Inbunden
Språk:Engelska
Serie:Methods in Molecular Biology
Antal sidor:356
Upplaga:2
Förlag:Springer-Verlag New York Inc.
ISBN:9781071634400

Utforska kategorier

Fysikalisk kemi inom Naturvetenskap och teknik
Farmakologi inom Medicin
Biovetenskap inom Naturvetenskap och teknik

Innehållsförteckning

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.