Discover the Top 14 Blogs in Drug Discovery

2026-07-24

Drug Discovery

The Rare Disease Advantage: Why Orphan Drugs Now Have Better Success Rates Than Blockbuster Programs

Rare diseases are reshaping drug discovery by combining precise biology, AI-driven insights, and faster clinical development into a new innovation model.

2026-07-22

Drug Discovery

The Solvation Shell Mystery: Why Water Molecules Matter in Drug Discovery

Water molecules shape binding affinity, stability, and molecular recognition, making solvent dynamics essential to modern drug discovery.

2026-07-17

Drug Discovery

When Machine Learning Predictions Meet Thermodynamic Reality: The FEP Advantage

Discover why combining AI with Free Energy Perturbation delivers more reliable drug discovery by validating predictions through thermodynamic reality.

2026-07-13

Drug Discovery

Bringing Molecular Dynamics into Mainstream Drug Discovery: A European Initiative

A European initiative is advancing molecular dynamics through HPC, AI, open data, and collaboration to make simulations mainstream in drug discovery.

2026-04-14

Drug Discovery

Why Most Binding Predictions Fail in Drug Discovery

Binding predictions often fail due to oversimplified models that ignore dynamics, solvent effects, and thermodynamics, creating a gap between computation and reality.

2026-04-10

Drug Discovery

What Really Happens During Molecular Binding

Molecular binding is not static but a dynamic, multi-step process shaped by motion, solvent, and thermodynamics, critical for real-world drug discovery.

2026-04-08

Drug Discovery

Docking vs Molecular Dynamics: What’s the Difference?

Docking and molecular dynamics serve different roles in drug discovery, combining speed, scale, and realism for better binding predictions.

2026-04-03

Drug Discovery

The Shift from Screening to Designing Molecules: How Drug Discovery Is Moving Beyond Libraries to Intelligent Creation

Drug discovery is moving beyond library screening toward intelligent molecule design powered by generative AI, structural biology, and physics-based validation.

2026-03-07

Drug Discovery

Beyond SAR: How Scaffold Hopping Enables First-in-Class Drug Discovery

Scaffold hopping and bioisosteric design expand chemical space beyond traditional SAR, enabling novel, first-in-class drug discovery.

2025-07-01

Drug Discovery

Chai-2 Redefines Antibody Discovery: AI-Driven De Novo Design with Industry-Leading Hit Rates

Chai-2 is the first AI model capable of generating fully functional antibodies in a zero-shot setting, achieving up to 20% hit rates and revolutionizing biologics discovery.

2025-06-20

Drug Discovery

Boltz-2: The New Benchmark for AI-Driven Binding Affinity Prediction in Drug Discovery

Boltz-2, an open-source AI model from MIT and Recursion, unifies structural and energetic prediction, delivering near-FEP accuracy in seconds and redefining molecular screening workflows.

2025-05-15

Drug Discovery

Free Energy Methods and the Digital Transformation of Drug Discovery: Precision at Scale

How Medvolt’s Oopal FEP brings scalable, physics-driven precision to drug discovery through AI integration, cloud-native architecture, and high-throughput free energy simulations.

2024-11-12

Drug Discovery

Exploring QSAR Modeling for Adverse Outcome Pathways: A Comprehensive Approach

Quantitative Structure-Activity Relationship (QSAR) models were developed to predict the activity of chemical compounds toward specific protein targets associated with MIEs in five AOP networks.

2024-07-27

Drug Discovery

Transforming Protein Structure and Function Prediction with Precious3-GPT

Discover Precious3-GPT, a multimodal transformer for aging research and drug discovery, enhancing predictions across species and tissues.