Research Articles
Molecular Docking for Protein-Ligand Interactions: A Comprehensive Guide from Foundations to Advanced Applications in Drug Discovery
This article provides a comprehensive guide to molecular docking, a pivotal computational technique in structure-based drug design.
Ligand-Based Drug Design: Approaches, Applications, and Advances in Modern Drug Discovery
This article provides a comprehensive overview of Ligand-Based Drug Design (LBDD), a pivotal computational approach in modern drug discovery when the 3D structure of a biological target is unavailable.
QSAR and Pharmacophore Modeling: Advanced Techniques for Modern Drug Discovery
This article provides a comprehensive overview of Quantitative Structure-Activity Relationship (QSAR) and pharmacophore modeling, two indispensable pillars of computer-aided drug design.
Structure-Based Drug Design: From Foundational Principles to AI-Driven Discovery
This article provides a comprehensive overview of Structure-Based Drug Design (SBDD), a cornerstone of modern rational drug discovery.
Lead Compound Identification Strategies: From Foundational Concepts to Advanced AI-Driven Discovery
This article provides a comprehensive overview of modern lead compound identification strategies for researchers and drug development professionals.
Stereochemistry in Drug Action: From Molecular Chirality to Clinical Outcomes
This article provides a comprehensive examination of stereochemistry's critical role in drug discovery and development, tailored for researchers, scientists, and drug development professionals.
Structure-Activity Relationship (SAR) Studies: A Comprehensive Guide from Foundations to Modern Applications in Drug Discovery
This article provides a comprehensive overview of Structure-Activity Relationship (SAR) studies, a cornerstone of modern medicinal chemistry and drug discovery.
Navigating Drug-Like Space: The Central Role of Physicochemical Properties in Modern Drug Design
This article provides a comprehensive overview of the critical role physicochemical properties play in the entire drug discovery and development pipeline.
Principles of Rational Drug Design: A Modern Framework for Targeted Therapeutics
This article provides a comprehensive overview of the principles and practices of Rational Drug Design (RDD), a systematic approach that leverages knowledge of biological targets to develop new medications.
Hit to Lead (H2L) in 2025: A Strategic Guide to Accelerating Drug Discovery
This article provides a comprehensive overview of the Hit-to-Lead (H2L) process in modern drug discovery, tailored for researchers, scientists, and development professionals.