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NSU offers Online Courses on Computational Drug Discovery
The Department of Pharmaceutical Sciences, North South University (NSU) is offering a series of approved online training courses on Computational Drug Discovery. These programs are designed to build practical, research-oriented skills in molecular docking, molecular dynamics, and machine learning–based virtual screening for students, researchers, and professionals.
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Virtual Screening Identifies a Novel KEAP1 Inhibitor with Potential for Neurodegenerative Disease Therapy
A recent study led by Professor Dr. Murad Hossain and published in PLOS ONE (February 2, 2026) reports the discovery of a novel KEAP1 inhibitor using an integrated computational drug discovery workflow combining virtual screening, molecular docking, molecular dynamics (MD) simulations, and free energy calculations.
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How to Select a Target Protein for Computational Drug Discovery
Selecting the right target protein is a critical first step in computational drug discovery. A well-chosen target increases the likelihood that virtual screening, molecular docking, and molecular dynamics simulations will yield meaningful and biologically relevant results. This tutorial introduces practical and beginner-friendly approaches to identifying and validating target proteins. The focus is on conceptual understanding,…
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Structure-Based Drug Discovery: A Case Study with RIPK1
Structure-based drug discovery (SBDD) is a widely used computational approach that leverages the three-dimensional structure of biological targets to identify and optimize potential drug candidates. In this introductory tutorial, we present a real-world case study using Receptor-Interacting Protein Kinase 1 (RIPK1)—a clinically relevant target involved in inflammation, neurodegeneration, and cell death pathways.
