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AI-Powered Drug Discovery Services

Protein Modeling. Molecular Docking.
Structure to Drug Lead

AlphaFold3 & Rosetta structure prediction, virtual screening, MD simulations, ADMET profiling, and full CADD pipelines — for pharma R&D, biotech startups, AYUSH validation, and academic research. From $500/target.

$500
Per target start
3–14d
Turnaround time
AF3
AlphaFold3 integrated
NDA
Full IP protection
End-to-End Workflow

From Sequence to Drug Candidate

Each step in the CADD pipeline, handled by our team. Pick individual services or commission the full pipeline.

01

Target Identification

Protein target selection from literature & client input

02

Structure Prediction

AlphaFold3 / Rosetta + Ramachandran validation

03

Molecular Docking

Virtual screening, binding affinity, pose analysis

04

MD Simulation

Stability, RMSD/RMSF, MM-GBSA free energy

05

ADMET & Reporting

Drug-likeness, toxicity, lead ranking + full report

Service Catalogue

Six Core Services

Commission individually or as a full CADD campaign. Every deliverable PhD-reviewed.

Protein Structure Prediction

$500–1,500/target

3D structure from sequence using AI and physics-based methods. AlphaFold3 for complexes, RoseTTAFold, homology modeling. Full validation suite.

PDB structure file
Confidence scores (pLDDT)
Ramachandran plot
MolProbity report
AlphaFold3RoseTTAFoldSWISS-MODEL
TAT: 3-5d

Molecular Docking & Virtual Screening

$1,000–3,000

Single-target docking to high-throughput virtual screening of thousands of ligands. Binding mode analysis, interaction maps, ranked hit list.

Binding affinity scores
2D interaction diagrams
Top poses visualization
Ranked compound report
AutoDock VinaGOLDGlide
TAT: 5-10d

Molecular Dynamics Simulation

$2,000–5,000/run

50–500 ns simulations, RMSD/RMSF, radius of gyration, H-bond analysis, MM-GBSA/PBSA binding free energy.

RMSD / RMSF plots
Binding free energy
Trajectory snapshots
PCA analysis
GROMACSNAMDAMBER
TAT: 7-14d

ADMET & Drug-Likeness

$500–1,500/set

Absorption, Distribution, Metabolism, Excretion, Toxicity. Lipinski, Veber, BBB permeability, CYP inhibition, hERG toxicity, AMES prediction.

Lipinski / Veber filters
Bioavailability radar
Toxicity assessment
Lead compound ranking
SwissADMEpkCSMADMETlab
TAT: 3-5d

Network Pharmacology

$2,000–8,000

Multi-target mechanism for herbal/AYUSH formulations. Compound-target-pathway networks, PPI, GO/KEGG enrichment. Publication-ready figures.

Compound-target network
Hub gene identification
GO & KEGG enrichment
Cytoscape visuals
CytoscapeSTRINGDAVID
TAT: 5-10d

End-to-End CADD Campaign

$10K–50K

Full pipeline: target ID → structure prediction → docking → MD → ADMET → lead report. For pharma R&D and biotech. Milestone delivery.

All services integrated
Compound library curation
SAR analysis
Executive summary report
All tools includedTAT: 4-8 weeks

Who Uses This Service

Four distinct buyer segments — tailored deliverables.

💊

Pharma R&D

Outsourced CADD campaigns, virtual screening, NDA-protected.

$10K–$50K/campaign
🧪

Biotech Startups

Validate target-compound interactions before wet lab investment.

$2K–$15K/project
🌿

AYUSH / Herbal Pharma

Phytochemical docking, network pharmacology, INR pricing.

₹1.5L–₹6L/study
🎓

Academic Researchers

Structure prediction, MD, docking for thesis/journal.

$500–$5K/project
Pricing

Clear, Competitive Pricing

USD. AYUSH pricing in INR. Custom quotes for multi-target.

ServiceStarting AtRangeTurnaroundInput
Protein Structure Prediction$500$500–$1,5003-5dFASTA sequence
Molecular Docking (single)$1,000$1K–$2K5-7dPDB + ligands
Virtual Screening (library)$2,000$2K–$5K7-14dPDB + library SMILES
MD Simulation (100ns)$2,000$2K–$5K7-14dPDB complex
ADMET Profiling$500$500–$1,5003-5dSMILES list
Full CADD Campaign$10,000$10K–$50K4-8 weeksTarget + library

Common Questions

I only have a protein sequence — can you still do docking?

Yes — we predict 3D structure using AlphaFold3, validate, then dock. Most common workflow.

Can you dock herbal/phytochemical compounds for AYUSH submissions?

Absolutely. We source phytochemicals, run network pharmacology, deliver publication-ready figures. INR pricing available.

How long does an MD simulation take?

100 ns: 7-14 days including setup and analysis. GPU-accelerated. Rush delivery possible.

Will my compounds be kept confidential?

Yes, NDA signed before data exchange. Encrypted servers, IP ownership remains with you.
GET STARTED

Describe Your Target.
We'll Design the Campaign.

Free consultation — we assess feasibility, recommend the right approach, and deliver a clear proposal within 24 hours.

Response Time

Within 24 hours

🌿 AYUSH / Herbal Drug Companies

Looking for computational validation of your Ayurvedic, Unani, or Siddha formulations? We specialize in molecular docking and network pharmacology for traditional medicines. INR pricing available.

Email us directly →

Request Docking / Modeling Quote

Quote within 24 hours. NDA available upon request.

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