EGK AIProteinSim

EGK ProteinSim — AI-Powered Protein Binding Simulator

Explore the molecular world like never before. EGK ProteinSim brings cutting-edge structural biology directly to your iPhone and iPad, combining real-time 3D protein visualization with xAI Grok-powered binding affinity prediction.

VISUALIZE PROTEINS IN STUNNING 3D
Load any protein structure from the RCSB Protein Data Bank or import your own PDB files. Explore molecules in four rendering modes — Ball & Stick, Space Fill, Ribbon, and Surface — with four colour schemes including CPK, Chainbow, and Hydrophobicity mapping. Rotate, zoom, and pan with full touch control powered by SceneKit.

PREDICT BINDING AFFINITY WITH GROK AI
Select a protein-ligand complex and let xAI Grok analyse the structure and predict binding energy (kcal/mol), affinity score (0–100), inhibition constant (Ki in nM), and interaction types including hydrogen bonds, hydrophobic contacts, ionic bonds, π-stacking, Van der Waals forces, and metal coordination. Every prediction comes with a detailed scientific interpretation explaining the mechanism and drug-design implications.

REAL STRUCTURAL BIOLOGY DATA
Connect directly to RCSB Protein Data Bank (rcsb.org) — the world's largest repository of protein structures — and download any of over 200,000 structures by 4-character PDB ID. Built-in demo structures include HIV-1 Protease (1HVR), Haemoglobin, Adenylate Kinase, and cAMP-Dependent Protein Kinase.

WHO IS THIS FOR?
• Biochemistry and pharmacy students
• Drug discovery and medicinal chemistry researchers
• Bioinformatics professionals
• Science educators and lecturers
• Molecular biology enthusiasts

PRO FEATURES
Upgrade to EGK ProteinSim Pro to unlock unlimited structure loading, contact residue analysis, multi-structure comparison with Grok AI narrative, and PDF docking report export suitable for academic use.

IMPORTANT DISCLAIMER
EGK ProteinSim is designed for educational and research purposes only. All AI predictions are computational estimates and do not constitute validated docking results. Always consult qualified researchers or healthcare professionals for clinical decisions.

Developed by EGK Microelectronic Solutions Group Sdn. Bhd., Penang, Malaysia.
AI powered by xAI Grok. Structural data from RCSB Protein Data Bank.