EGK AIProteinSim

EGK AIProteinSim

Protein Binding Simulator

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Released
April 29, 2026
Updated
September 27, 2026

Features

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About

EGK ProteinSim — Edge Agentic AI Protein Analysis 100% on-device EGKAICore processing. Your molecular data is never sent to a cloud AI server. Explore the molecular world on iPhone and iPad with EGK ProteinSim — interactive 3D protein visualization, structural analysis, molecular interaction evidence, scientific quality control, provenance tracking, and on-device Edge Agentic AI. EXPLORE PROTEINS IN 3D Load structures from the RCSB Protein Data Bank or import your own PDB files. Visualization styles: Ball & Stick, Space Fill, Ribbon, Surface. Colour schemes include CPK, Chainbow, and Hydrophobicity mapping. Rotate, zoom, and pan with touch-controlled 3D visualization. ANALYSE MOLECULAR INTERACTIONS Explore computational structural evidence between proteins, ligands, and nearby residues: contact residues, interatomic distances, hydrogen-bond-like contacts, hydrophobic contacts, ionic interactions, aromatic interactions, metal-related contacts, and binding-site evidence. EGK ProteinSim separates structural evidence from AI interpretation, so it's always clear what was computed and what was AI-generated. EGKAICORE — EDGE AGENTIC AI Local, on-device scientific interpretation of computational molecular evidence. Summarize structural findings, interpret molecular interactions, explain observations, and assist scientific exploration — without sending structures to the cloud. SCIENTIFIC QUALITY CONTROL Identify potential issues before analysis: structure validity, coordinate information, ligand identification, structural completeness, binding-site evidence, computational readiness, and analysis limitations. CONTEXT-AWARE ANALYSIS Define your intended purpose — Exploratory Research, Lead Optimization Support, Preclinical Computational Support, or Regulatory Evidence Support. Context of Use is preserved in the evidence record. REPRODUCIBLE SCIENTIFIC EVIDENCE Each analysis can include a unique Run ID, input structure information, SHA-256 fingerprint, engine/algorithm versions, Context of Use, QC results, structural observations, interaction evidence, AI interpretation, limitations, timestamps, and audit events. AUDIT TRAIL & EXPORT Review major computational events and export structured evidence records for documentation, reproducibility, internal review, and downstream workflows. REAL STRUCTURAL BIOLOGY DATA Connect to the RCSB Protein Data Bank, import your own PDB files, or retrieve structures by PDB identifier. WHO IS THIS FOR? Biochemistry and pharmacy students · Drug discovery and medicinal chemistry researchers · Bioinformatics professionals PRO FEATURES Advanced structure analysis, contact residue analysis, multi-structure comparison, EGKAICore scientific interpretation, structured evidence records, provenance information, and advanced analysis export. PRIVACY-FIRST EDGE AI EGKAICore processes locally — molecular structures are never sent to a cloud AI server. Network connectivity is used only for public structural-data services such as the RCSB PDB. SUBSCRIPTION INFORMATION EGK ProteinSim Pro is available as a monthly or annual auto-renewing subscription. Payment is charged to your Apple ID account at purchase confirmation. Subscriptions automatically renew unless cancelled at least 24 hours before the end of the current subscription period. You can manage or cancel your subscription through your App Store account settings. No cancellation of the current subscription is permitted during the active subscription period. Privacy Policy: https://www.egkhor.com.my/privacy Terms of Use: https://www.apple.com/legal/internet-services/itunes/dev/stdeula/ IMPORTANT DISCLAIMER EGK ProteinSim is for educational, research, and computational analysis purposes. Computational observations and AI interpretations are not substitutes for experimental measurements and do not provide medical diagnosis, treatment, or clinical decisions. EGK ProteinSim does not claim FDA approval, clearance, certification, or validation.
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What's New in EGK AIProteinSim

27.0.0

September 27, 2026

What's New in EGK AIProteinSim A major scientific workflow upgrade for protein and molecular analysis. Advanced Protein Structure Analysis — Improved structure inspection, ligand identification, binding-site analysis and molecular contact evaluation. Scientific Quality Control — New computational-readiness checks help identify structural and input-quality issues before analysis. Molecular Interaction Evidence — Analyze contact residues, distances and structural interaction types including hydrogen-bond, hydrophobic, ionic, aromatic and metal-related interactions. On-Device AI Interpretation — EGKAICore now focuses on interpreting computational evidence rather than generating unsupported quantitative affinity values. Context of Use — Define the intended scientific purpose of an analysis and preserve it with the computational record. Evidence & Provenance — Every analysis can include a unique Run ID, input SHA-256 fingerprint, engine version, algorithm version and analysis metadata. Audit Trail — New analysis history records the major computational steps performed during an analysis. Evidence Export — Export structured JSON records for research documentation, reproducibility and downstream analysis. Scientific Transparency — Quantitative binding-energy and Ki values are no longer generated from generative AI alone. Results now clearly distinguish structural evidence from AI interpretation. Privacy-First Architecture — Continue using EGKAICore locally for on-device AI analysis without requiring molecular structures to be sent to a cloud AI service. This release establishes the foundation for future validated docking, molecular scoring, uncertainty assessment and scientific benchmarking capabilities.

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Subscriptions & In-App Purchases

EGK ProteinSim Pro

Unlimited structures, AI docking, PDF export

$2.991 Month
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