Research Articles
Pharmacophore-Based Virtual Screening: A Comprehensive Workflow Guide from Concept to Clinical Candidates
This comprehensive review explores pharmacophore-based virtual screening (PBVS) as a powerful computational strategy in modern drug discovery.
3D-QSAR in Drug Discovery: A Comprehensive Guide to CoMFA and CoMSIA Protocols
This article provides a comprehensive guide to three-dimensional quantitative structure-activity relationship (3D-QSAR) methodologies, focusing on the foundational principles, protocols, and applications of Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular...
Beyond the Library: Modern Strategies for Exploring Chemical Space to Discover Novel Scaffolds in Drug Discovery
This article provides a comprehensive overview of contemporary computational and AI-driven strategies for exploring the vast chemical space to identify novel molecular scaffolds.
Beyond the Molecule: How the Similarity Principle is Revolutionizing Modern Drug Design
This article provides a comprehensive exploration of the molecular similarity principle, a cornerstone concept in drug discovery asserting that structurally similar molecules tend to have similar properties.
Conformational Analysis in LBDD: From 3D Structure to Optimized Drug Candidates
This article provides a comprehensive overview of the critical role conformational analysis plays in modern Ligand-Based Drug Design (LBDD).
Ligand-Based Virtual Screening: A Comprehensive Guide for Drug Discovery
This article provides a comprehensive overview of ligand-based virtual screening (LBVS), a cornerstone computational method in modern drug discovery.
Bioisosteric Replacement Strategies in Drug Design: A Modern Guide for Enhancing Potency and Selectivity
This article provides a comprehensive overview of contemporary bioisosteric replacement strategies, a cornerstone of modern medicinal chemistry for optimizing lead compounds.
Scaffold Hopping in Drug Discovery: AI-Driven Strategies for Novel Therapeutics
This article provides a comprehensive overview of scaffold hopping, a pivotal strategy in medicinal chemistry for generating novel, patentable drug candidates by modifying core molecular structures while preserving biological activity.
From Molecules to Medicines: A Comprehensive Guide to Modern QSAR in AI-Driven Drug Discovery
This article provides a comprehensive overview of Quantitative Structure-Activity Relationship (QSAR) modeling, a cornerstone computational methodology in modern drug discovery.
Pharmacophore Modeling: A Comprehensive Guide from Basics to Advanced Applications in Drug Discovery
This article provides a thorough exploration of pharmacophore modeling, a cornerstone concept in modern computer-aided drug design.