Drug Discovery - IoT Digital Twin PLM

AI Retrosynthesis: Computer-Aided Synthesis Planning Architecture (2026)

By MPRAUTO MPRAUTO July 28, 2026ScienceNo Comments

AI retrosynthesis explained: how template-based, transformer and MCTS search systems plan synthetic routes backward from a target molecule - reaction prediction, scoring, and honest limits in 2026.

Predicting Protein Conformational States with AI (2026)

By MPRAUTO MPRAUTO June 8, 2026ScienceNo Comments

How AI is moving beyond static AlphaFold structures to predict protein conformational states and ensembles in 2026, the methods, the limits, and why it matters.

Cryo-EM Meets AI: Structure Prediction in Drug Discovery

By MPRAUTO MPRAUTO June 6, 2026ScienceNo Comments

How cryo-EM and AI structure prediction work together in 2026 drug discovery — the pipeline, what AlphaFold-class models add, and the honest limitations.

AlphaFold 3 Protein-Ligand Co-Folding: Architecture & Use Cases

By MPRAUTO MPRAUTO May 26, 2026ScienceNo Comments

AlphaFold 3 architecture explained — diffusion-based co-folding, protein-ligand prediction, training data, accuracy limits, and drug-discovery applications.

mRNA Beyond Vaccines: Programmable Therapeutics Explained

By MPRAUTO MPRAUTO May 25, 2026ScienceNo Comments

mRNA beyond vaccines — how programmable therapeutics work, lipid nanoparticle delivery, the manufacturing platform, and the real limits today.

AlphaFold 3 and Protein Structure Prediction Explained

By MPRAUTO MPRAUTO May 24, 2026ScienceNo Comments

AlphaFold 3 explained — how the diffusion-based model predicts protein, DNA, and ligand structures, why it matters, and its real limitations.