Research Articles
A Systematic Review of Machine Learning in Cancer Research: From Diagnostics to Precision Therapeutics
This systematic review synthesizes the current landscape of machine learning (ML) applications in oncology, addressing its transformative potential across the cancer care continuum.
Benchmarking Pharmacophore Virtual Screening Against High-Throughput Screening: A Practical Guide for Modern Drug Discovery
This article provides a comprehensive benchmark comparison between pharmacophore-based virtual screening (PBVS) and high-throughput screening (HTS) for researchers and drug development professionals.
ROC Curve Analysis for Pharmacophore Model Validation: A Comprehensive Guide for Drug Discovery
This article provides a comprehensive guide for researchers and drug development professionals on applying Receiver Operating Characteristic (ROC) curve analysis to evaluate pharmacophore model performance.
Beyond Static Snapshots: Validating Pharmacophore Models with Molecular Dynamics Simulations for Robust Drug Discovery
This article provides a comprehensive guide for researchers and drug development professionals on integrating Molecular Dynamics (MD) simulations into the pharmacophore model validation pipeline.
Optimizing Pharmacophore Model Sensitivity: A Comprehensive Guide for Enhanced Virtual Screening
This article provides a systematic guide for researchers and drug development professionals on optimizing pharmacophore model sensitivity—a critical parameter for successful virtual screening.
Beyond Static Models: Mastering Conformational Sampling for Advanced Pharmacophore Modeling in Drug Discovery
This article addresses the critical challenge of conformational sampling in pharmacophore modeling, a cornerstone of modern computer-aided drug discovery.
A Comprehensive Guide to Pharmacophore-Based Virtual Screening for Neurodegenerative Disease Targets
This article provides a comprehensive overview of pharmacophore-based virtual screening (PBVS) protocols specifically tailored for neurodegenerative disease (NDD) targets.
Virtual Screening of Natural Product Databases: A Modern Protocol for Accelerating Drug Discovery
This article provides a comprehensive guide for researchers and drug development professionals on establishing a robust virtual screening protocol for natural product databases.
Pharmacophore Virtual Screening: Accelerating Lead Identification in Modern Drug Discovery
Pharmacophore-based virtual screening (VS) has evolved into a cornerstone strategy for efficient lead identification in drug discovery.
Comprehensive Pharmacophore-Based Virtual Screening Protocol for Kinase Inhibitors: From AI-Driven Design to Experimental Validation
This article provides a comprehensive guide to pharmacophore-based virtual screening (PBVS) for kinase inhibitor discovery, a critical methodology for addressing challenges like selectivity and resistance in oncology drug development.