Computational Chemistry Program

Software Library

The Molecular Research Institute maintains a large library of diverse software packages embodying a spectrum of state-of-the-art computational methods that enables computers to be the laboratory for scientists to effectively address the multiple aspects of computer-aided design of bioactive agents, construction of 3D models of proteins, macromolecular modeling structure-based inhibitor design and computer-aided risk assessment. The library of programs span many useful methods and procedures from first principles quantum mechanical packages to molecular mechanics and molecular dynamic simulation programs and also include low and high resolution graphics programs.

A careful selection process and continued evaluation of current components and contemplated additions to our software library is an important on-going activity at the Molecular Research Institute.

Specific Capabilities

Current Research Areas

Experimental Program

The Molecular Research Institute uses state-of-the-art methods for the pharmacological evaluation of CNS active drugs. Our trained professionals are qualified to optimize, adapt, or extend the protocols used to Novel systems. Research in diverse areas of pharmacology is performed that relates the in vitro pharmacology to in vivo behavioral responses.

Specific Techniques Used

The in vitro Pharmacology Program includes:

Current Research Areas

  1. Pharmacology of Various Receptor Systems, including:
    • BDZ/GABAA
    • Adrenergic
    • Opioid Receptors
    • Cannabinoid Receptors

  2. Neurodevelopment