Software

GNEIMO (Generalized Newton-Euler Inverse Mass Operator) is an Internal Coordinate Molecular Dynamics (ICMD) method developed in collaboration with Dr. Abhinandan Jain at the NASA Jet Propulsion Laboratory, Caltech. 

 

The GneimoSim software can be downloaded free of cost for academic use by submitting the request form shown below. Once the form is submitted we will send you a downloadable link to the software.

 

Allosteer: This software used molecular dynamics trajectories and calculates the network of amino acid residues involved in allosteric communication between two specified sites in a protein. It also calculates the pipeline of this communication and lists all the residues involved in this communication pipeline. To download Allosteer for non-commercial academic use please submit the request form below. Once the form is submitted we will send you a downloadable link to the software.