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Core Facilities

Computational Chemistry and Biology Core Facility


The Computational Chemistry and Biology (CCB) Core Facility provides a wide array of advanced tools and services for computational-based simulations and modeling of chemical and biological systems.  Located on the Anschutz Medical Campus of the University of Colorado in the new Skaggs School of Pharmacy and Pharmaceutical Sciences building, the CCB Core offers specialized expertise to researchers in both academia and the biotech/pharmaceutical industry to:

  • Develop and test hypotheses in silico before executing costly experimental methodologies
  • Reduce the time and costs involved in cutting-edge research, target validation, and novel therapeutic development
  • Provide additional mechanistic justification for experimental results obtained in the laboratory
  • Aid in the analysis and communication of results for grant submissions, publications, and presentations to the scientific community and the public at large.

For a detailed summary of the equipment and services, the CCB Core provides, please click the specific links below or to the left.


Macromolecule Modeling and Analysis

The CCB Core utilizes validated scientific tools to aid in every step of macromolecule research.


Molecular Simulations and Quantum Molecular Mechanics

The CCB Core can perform sophisticated simulations of the potential interactions between macromolecules, ligands, cofactors, membrane surfaces, and metal ions


X-ray Crystallography

The CCB Core can assist in the interpretation of complex data sets resulting from X-ray crystallography experiments.


Rational Small Molecule Drug Design, Receptor-Ligand Interactions, and Pharmacophore Modeling

A major goal of the CCB Core is to aid in the discovery and design of novel small molecule drugs by rapidly identifying and refining promising compounds utilizing a variety of strategies.


Predictive Drug Absorption, Distribution, Metabolism, Excretion, and Toxicity

The CCB Core can perform early assessment of novel drug candidates by calculating predicted absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties for collections of molecules.


Molecular Visualization

The CCB Core specializes in the production of clear, concise, publication-quality graphics for grant submissions, manuscripts, reviews, and presentations.



For more information about the Computational Chemistry and Biology Core Facility.