What We Do
01
Docking Science
Molecular Docking
Grid Setup
Target and ligand structures need careful preparation before any docking run. We clean structures, assign charges, and configure grid boxes correctly — the step most docking errors trace back to.
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AutoDock Vina
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MOE (molecular Operating)
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Target Prep
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Ligand Prep
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PyMOL
Virtual Screening
Screening ranks multiple candidate compounds against one target by predicted binding potential. This narrows a long compound list down to the few worth testing in the wet lab first.
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Virtual Screening
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Discovery Studio
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Compound Ranking
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Hit Prioritization
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Binding Score
Binding Affinity
Every docking run ends with binding affinity data plus 2D interaction diagrams and 3D pose visuals at 300dpi — formatted the way journal reviewers expect in a methods section.
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Binding Affinity
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2D Diagrams
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3D Visualization
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300dpi Figures
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Publication-Ready
02
Systems Biology
Network Pharmacology
Target Prediction
Multi-target drugs and herbal compounds rarely act on just one protein. We predict the likely biological targets first, building the foundation for a full systemic analysis.
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Target Prediction
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Multi-Target Drugs
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Herbal Medicine
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Compound Profiling
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Systems Pharmacology
PPI Networks
Protein-protein interaction networks reveal how a compound’s effect ripples through a biological system, showing connections a single-target view could never capture.
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PPI Networks -
Cytoscape
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Network Mapping
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Systems-Level View
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Mechanism Analysis
Pathway Enrichment
GO and KEGG pathway enrichment connects your network back to a concrete biological mechanism — the “why” behind the interactions, not just the map itself.
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GO Enrichment
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KEGG Pathways
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Pathway Analysis
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Cytoscape
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Mechanism Interpret
03
Lead Validation
ADMET Screening
ADMET Profiling
Full ADMET profiling covers absorption, distribution, metabolism, excretion, and toxicity — the data that tells you whether a compound can survive contact with a real biological system.
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ADMET Profiling
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Toxicity Prediction
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Drug Metabolism
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Absorption Data
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Lead Validation
Lipinski Screening
Lipinski’s Rule of Five filters out compounds unlikely to succeed as drug candidates early, before you spend time or budget testing them further in the lab.
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Lipinski’s Rule
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Drug-Likeness
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Compound Filtering
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Lead Prioritization
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Molecular Weight
Troubleshooting
Stuck mid-analysis? Hourly troubleshooting for AutoDock Vina grid errors, PyMOL scripts, and Cytoscape import issues gets you unstuck fast, with an explanation of why it happened.
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AutoDock Vina
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PyMOL
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Cytoscape
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Software Fixes
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Hourly Consultation
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