Molecular Modeling

In Silico Material Science

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The Molecular Modeling Group is a consortium of Scientists
conducting research in Organic and Medicinal Chemistry
and Material Science.

The Molecular Modeling Group offers expertise in Organic, Medicinal,
Polymer and Computational Chemistry

In silico tools include molecular orbital and molecular mechanics applications
and molecular docking tools

The Molecular Modeling Group has developed a new paradigm for similarity transforms
and has published extensively in Qualitative Structure-Activity Relationships
and Qualitative-Structure Property Relationships.

 

 

The processing power of computers makes possible  in
silico
experimentation across many domains, conducting
research via computer simulations with models closely
reflecting the real world.  Thus, it is possible to guide
more expensive experimental investigations!

                                                                                                                                 

 

 

Principals: 
 

Stephen P. Molnar, Ph.D.

 

In Memoriam

James W. King, Ph.D.

1933 - 2007