Computational Biology · Precision Simulation Platform

Molecular Docking | Virtual Screening | Molecular Dynamics Simulation | Binding Free Energy Calculation — Advancing Drug Discovery and Protein Interaction Research

Target–Ligand Binding Mode Prediction · Large-Scale Compound Screening · Complex Stability Assessment · Energetic Analysis

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Reference Examples

Use these formats when describing your requirements below.

✅ Example 1: Perform molecular docking between human protein A (UniProt ID: P12345) and human protein B (UniProt ID: Q67890) to identify potential interaction interfaces and key residues.

✅ Example 2: Analyze the binding mode of small molecule A (PubChem CID: 2244) with mouse protein B (UniProt ID: P12345), predict the binding pocket and key residues, and calculate the binding free energy.

✅ Example 3: Use molecular dynamics simulation to assess the binding stability of protein A (UniProt ID: Q8xxxx) and protein B (UniProt ID: P6xxxx), with a simulation time of at least 100 ns.

✅ Example 4: Virtually screen candidate small molecules that can bind to protein A (UniProt ID: P00533), including drug-likeness filtering.

The more detail you provide, the more accurately our technical team can assess your project and minimize follow-up communication.

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Your information will be used solely for service assessment and kept strictly confidential by our technical team. We will provide a proposed solution within 48 hours of receiving your requirements, reducing the need for repeated communication.