ChemFlow

ChemFlow is an open-source, serverless web application designed to streamline the preparation of protein purification buffers. By integrating physicochemical analysis (pI, GRAVY) with a deterministic buffer formulation engine, ChemFlow eliminates manual calculations and reduces batch-to-batch variability in biochemical experiments.

🔗 Live Demo: https://krsdntr.github.io/chemflow/

Key Features

1. 🧬 Protein Characterization

• Isoelectric Point (pI) calculation using the iterative dissociation algorithm.
• GRAVY (Grand Average of Hydropathy) score for solubility prediction.
• Titration Curve visualization to predict charge states across pH ranges.

2. 🎯 Smart Purification Strategy

• Automatically suggests Ion Exchange (IEX) strategies (Anion vs. Cation) based on pI.
• Recommends optimal pH, Buffer System, and Salt Concentration.
• Detects oxidation-prone residues (Cysteines) and recommends reducing agents (DTT).

3. ⚖️ Precision Buffer Formulator

• Henderson-Hasselbalch Equation: Calculates exact ratios of conjugate acid/base.
• Temperature Correction: Adjusts pKa values based on operating temperature (e.g., 4°C vs 25°C).
• Gravimetric “Smart Mix”: Generates recipes based on mass (g), eliminating the need for manual pH titration.
• Additives Support: Automatically calculates masses for Salts (NaCl), EDTA, and DTT.

4. 📄 Laboratory Documentation

• Generates Publication-Ready PDF Protocols.
• Includes Safety Checklists, Reagent Tables, and Methodology Citations.