Field Guide
X-ray and crystallisation
Getting a crystal and getting data from it: screens, harvesting, mounting, microfluidics and what protein stability has to do with any of it.
Other chapters
X-ray and crystallisation
Cryo-EM
Fundamentals
Prediction and validation
Protein design
AI workflows and chemistry tools
Docking, screening and simulation
Try it
FAFFAbout ↗
forecasts where a protein is likely to stall on the road to a structure, from 335,771 real attempts in the Protein Structure Initiative arch…
ALPHABETTI ↗
a protein sequence logo in 3D, wrapped around its own predicted structure. The amino acid letters themselves, stacked by how strongly a lang…
ButtFold ↗
a protein folds in your browser and the trajectory becomes music: contacts forming are note onsets, hydropathy sets pitch, secondary structu…
TopPDBLX ↗
every crystallisation condition in the protein data bank, parsed and indexed: what worked, how often, and how little of it is specific to yo…
AlphaFraud ↗
Catch AlphaFold where the fold is wrong: weekly, automatically, on freshly deposited human structures
ChatPDB ↗
A protein-structure-literate AI assistant for analyzing proteins: RAG for facts, a QLoRA-tuned model for behaviour, and live Biopython/gemmi…
9 articles
Unlocking Membrane Protein Structures: The Crystallization Revolution Reshaping Drug Discovery
Unlocking Membrane Protein Structures: The Crystallization Revolution Reshaping Drug Discovery GPCRdb G protein-coupled receptors (GPCRs): advances in structures, mechani…
Revolutionizing Protein Crystallography: The Synergy of TELSAM-DARPin Fusion and Electric Field Optimization
Revolutionizing Protein Crystallography: The Synergy of TELSAM-DARPin Fusion and Electric Field Optimization Engineering Protein Linkers for Optimized TELSAM-DARPin Fusio…
Engineering Protein Stability: Unlocking the Secrets of Successful Crystallization
Engineering Protein Stability: Unlocking the Secrets of Successful Crystallization Modern construct design leverages computational tools like AlphaFold3 and specialized s…
AXIS: Closing the Loop on Crystal Detection
AXIS: Closing the Loop on Crystal Detection AXIS: a Lab-in-the-Loop machine learning approach for automated detection of macromolecular crystals Persistent bottleneck res…
2014 – Approaches to automated protein crystal harvesting
Approaches to automated protein crystal harvesting Link to Paper Precision Robotics: Six-axis anthropomorphic robots achieve submicron positioning accuracy for crystals a…
2015 – Protein stability: a crystallographer’s perspective
Protein stability: a crystallographer’s perspective Link to Paper Protein stability is a critical factor for producing homogeneous, well-ordered crystals, which are essen…
Universal Mounting Robot (UMR)
Universal Mounting Robot (UMR) ACA Poster 2013 Approaches to automated protein crystal harvesting Link Persistent bottleneck in structural biology: crystal harvesting rem…
Top96 Crystal Screen
Top96 Crystal Screen Design Top 96 Conditions Top 96 Poster Commercially available from Rigaku Reagents Large-scale analysis: millions of crystallization trials revealed …
Tiny Pipes, Big Discoveries: How Microfluidics Are Accelerating Structural Biology
Tiny Pipes, Big Discoveries: How Microfluidics Are Accelerating Structural Biology Microfluidics and “lab-on-a-chip” technology are automating and miniaturizing complex l…