Computational Drug Discovery and Design

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

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