Research Articles
Structure-Based vs. Ligand-Based Drug Design: A Strategic Guide for Effective Virtual Screening
This article provides a comprehensive guide for researchers and drug development professionals on strategically choosing between structure-based and ligand-based virtual screening approaches.
From Lock and Key to AI: The Evolution of Structure-Based Ligand Discovery
This article chronicles the transformative journey of structure-based ligand discovery, a pivotal methodology in rational drug design.
Pharmacophore Modeling in Modern Drug Discovery: From Core Concepts to Cutting-Edge Applications
This article provides a comprehensive exploration of the pharmacophore concept, a foundational pillar in computer-aided drug design.
SBDD vs LBDD: A Comprehensive Guide to Structure-Based and Ligand-Based Drug Design
This article provides researchers, scientists, and drug development professionals with a detailed comparison of Structure-Based Drug Design (SBDD) and Ligand-Based Drug Design (LBDD).
Structure-Based Drug Design: Principles, Methods, and Future Directions
This article provides a comprehensive overview of the fundamental principles and cutting-edge methodologies of Structure-Based Drug Design (SBDD).
Block Relevance (BR) Analysis: A Strategic Framework for Safer Method Comparison and Enhanced Drug Candidate Prioritization
This article provides a comprehensive overview of Block Relevance (BR) analysis, a computational tool that deconvolutes the balance of intermolecular interactions in QSPR/PLS models to enhance drug discovery.
Lipophilicity Descriptors in QSAR: From Foundational Concepts to Advanced Applications in Drug Discovery
This article provides a comprehensive overview of lipophilicity descriptors and their pivotal role in Quantitative Structure-Activity Relationship (QSAR) studies.
AZlogD74: Unveiling the Model Powering Modern Drug Discovery
This article provides a comprehensive exploration of AstraZeneca's AZlogD74 model, a pivotal tool for predicting lipophilicity in drug discovery.
Isotropic vs Anisotropic Lipophilicity: A Comprehensive Guide for Drug Development
This article provides a thorough comparison of isotropic and anisotropic lipophilicity, two critical concepts in medicinal chemistry and drug design.
Lipophilicity in Uric Acid Lowering Drugs: A Comparative Analysis for Enhanced Drug Design and Development
This article provides a comprehensive comparative analysis of the lipophilicity of uric acid-lowering drugs, a critical physicochemical property governing their absorption, distribution, metabolism, elimination, and toxicity (ADMET).