Structure-Guided Drug Discovery Consulting

From structural insight to better compound decisions.

Coulombix provides integrated structural biology, SBDD, CADD, and scientific decision support for drug discovery programs.

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Our Mission

Turning complex biology and chemistry into better decisions and better compounds.

Why Coulombix

Scientific Judgment

We focus on interpreting structural, computational, and experimental evidence rather than simply generating more data.

Integrated Expertise

Structural biology, SBDD, CADD, simulation, and data-driven approaches are connected around the scientific decision.

Flexible Support

Focused internal expertise can be extended through specialized external partners when experimental or additional capabilities are needed.

What We Do

Scientific expertise focused on actionable decisions

Structural Biology

Structure quality, crystallography strategy, and structural interpretation.

SBDD

Binding-mode analysis, structure–SAR interpretation, and design hypotheses.

CADD

Docking, molecular modeling, MD, energetic analysis, and prioritization.

Decision Support

Independent scientific review and evidence-driven next-step recommendations.

Who We Are

Experienced scientists working directly with your project.

Coulombix is a scientist-led consulting company built around complementary expertise in drug discovery strategy, structural biology, and computational drug design.

Co-Founder

Chris Lee

Drug Discovery Strategy·Pharmacy·Scientific Leadership·SBDD·CADD

Drug discovery scientist providing scientific strategy, program perspective, and complementary expertise across discovery-stage research and decision making.

Co-Founder

Jin Kim

Structural Biology·X-ray Crystallography·Protein-Ligand Interaction·SBDD·CADD

Structural biologist and structure-based drug design scientist with experience applying protein structures and molecular modeling to compound discovery, interpretation, and design.

COULOMBIX | PROJECT NAVIGATOR

Explore What Coulombix Can Do for Your Project

Every drug discovery project starts from a different point.

Explore your project's needs through a guided assessment and discover how Coulombix can support your next steps.

A guided, step-by-step exploration · No commitment required

Services

Integrated structural and computational drug discovery support.

Modular scientific support spanning structural biology, computational drug design, molecular simulation, data intelligence, and discovery strategy.

Representative Services

Service Area	Representative Services
Structural Biology & SBDD	•Protein construct design & optimization •Protein expression & purification strategy •Crystallization system establishment & optimization •Co-crystal structure determination support	•Binding site & binding mode analysis •SAR interpretation •Structure-guided design guidance
CADD & Computational Drug Design	•Virtual screening •Pharmacophore modeling •Ligand-based similarity & shape screening •Fragment screening •Docking & pose evaluation	•Ligand conformation analysis •Scaffold hopping •R-group enumeration •Chemical space analysis •Molecular property prediction
Molecular Simulation & Free Energy	•Molecular dynamics system setup & simulation •Conformational analysis •Water-network analysis •MM/GBSA & MM/PBSA analysis	•RBFE calculations •Enhanced sampling •Metadynamics •Mechanistic & pathway analysis
Discovery Strategy & Decision Support	•Target opportunity assessment •Target tractability assessment •Hit validation strategy •Series selection & triage •Hit-to-lead strategy	•Compound prioritization •Risk assessment & mitigation •Milestone planning •Go/No-Go decision support •Next-experiment recommendation
AI-Enabled Discovery & Data Intelligence	•SAR extraction •Dataset curation •QSAR modeling •ADMET & molecular property modeling	•Active-learning guided prioritization •Compound prioritization •AI-assisted design exploration
Discovery Infrastructure & Workflow Automation	•Reproducible computational environments •Containerized workflows •Version-controlled workflows •Pipeline & workflow automation	•Metadata management •Result tracking •Local & HPC execution •Cloud-ready workflow deployment
Scientific Visualization & Communication	•Molecular & structural visualization •Protein–ligand interaction visualization •Surface & electrostatic visualization •MD trajectory visualization	•SAR & property landscapes •Scientific figures & diagrams •Mechanism & workflow visualization •Decision-oriented scientific reporting
Biophysics & Experimental Validation Strategy	•Target-engagement strategy •Binding affinity characterization strategy •Thermodynamic characterization strategy •Biochemical assay strategy •Cellular assay strategy	•Selectivity strategy •Functional assay planning •Assay cascade design •Experimental data interpretation •CRO / external partner coordination

Contact

Tell us about your project.

Start a discussion about your target, structural data, computational results, or current scientific decision point.

Name

Coulombix, LLC

coulombixllc@gmail.com

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