Quantum PharmX™

Revolutionizing Drug Discovery

AI-driven molecular intelligence powered by quantum-enhanced simulations for faster, safer, and smarter pharmaceutical innovation.

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Binding Affinity -9.82 kcal/mol

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IC50 Prediction 12.4 nM

AI-Driven Intelligence

Smarter insights for better decisions

Quantum Computing Power

Enhanced accuracy and speed

Faster & Safer Drug Discovery

Reduce time, cost and risk

Precision Therapeutics

Personalized solutions for better outcomes

Data-Driven Results

Actionable analytics you can trust

Access Portal

Authenticate via OTP to access the suite.

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Welcome, Researcher

Molecular Inputs

Molecule / Ligand names

Enter molecules or SMILES strings one by one.

Target Proteins

Enter target proteins one by one.

Core Molecular Modeling

Molecular Docking & Virtual Screening

High-throughput computational screening to evaluate interactions

Binding Affinity Prediction

Computation of ligand-protein binding strengths

IC50 Computation

Computational estimation to assess inhibitory potency

Dose-Response Curve Analysis

Generation of dose-response relationships for efficacy

Multi-Drug Synergy Heatmaps

Assessment of combinatorial drug effects

Binding Site Detection

Identification of active pockets on protein surfaces

Drug Dosage Optimization

Prediction of optimal dosage ranges and therapeutic windows

Receptor Interaction Network

Network-based analysis to predict off-target effects

ADME & Toxicity Dashboard

Comprehensive in silico profiling with risk indicators

Advanced Simulations (Quantum AI)

Molecular Dynamics (MD) Time-evolution simulation

MM/PBSA Free Energy Binding free energy calc

Stability (RMSD/RMSF) Structural deviation analysis

PCA & Energy Landscapes Conformational space mapping

Simulation Time (ns)

Temperature (K)

Ensemble