What PhiDock Is — And Why It Matters

Physics-informed, decision-grade molecular docking evaluation for modern drug discovery.

What PhiDock Is (and Is Not)

PhiDock is a decision-grade evaluation layer that sits after classical docking and before wet-lab validation or molecular dynamics. It provides physics-informed assessment to guide your research decisions.

What It Is

Decision-grade evaluation layer
Physics-informed and stability-aware
GO / NO-GO decision output
Designed to reduce false positives

What It Is Not

Not a docking engine
Not molecular dynamics
Not a scoring leaderboard
Not a black-box AI

Why Docking Scores Alone Are Not Enough

Classical docking provides static snapshots of binding, but binding is dynamic and time-dependent. False positives are common, leading to high downstream lab costs and wasted resources.

Static Snapshots

Docking scores capture a single moment in time, missing the dynamic nature of molecular interactions.

No Stability Insight

Traditional methods don't assess whether binding configurations remain stable over time.

High Experimental Attrition

Unstable candidates progress to expensive lab work, consuming time and budget before failing.

A Physics-Informed Decision Layer

PhiDock evaluates docking results through a physics-informed lens, providing decision-grade assessment without exposing proprietary methods.

Time-Aware Evaluation

Assesses binding configurations not just at a single moment, but with consideration for temporal stability and interaction consistency.

Interaction Consistency

Evaluates whether molecular interactions remain consistent and stable under realistic conditions.

Sensitivity to Perturbations

Tests how binding configurations respond to small changes, identifying candidates that may be unstable in real-world conditions.

Explainable Rejection Logic

Provides clear, physics-based rationale for GO / NO-GO decisions, enabling research teams to understand and trust the evaluation.

What PhiDock Delivers

GO / NO-GO Decision

Clear, actionable decision output for each candidate structure.

Physical Rationale

Physics-based explanation for each decision, supporting research understanding.

Stability Diagnostics

Detailed assessment of binding stability and interaction quality.

Confidence Signal

Clear confidence indicators to help teams prioritize candidates effectively.

PhiDock is designed to stop unstable candidates early, before they consume lab time and budget.

Independently Validated

PhiDock has been evaluated against industry-standard benchmarks to assess its decision-making performance.