Miranda Lynch at Hauptman-Woodward Medical Research Institute and a team led by collaborator Gregory Babbitt at Rochester Institute of Technology have just published a paper in Biophysical Journal describing ATOMDANCE.
ATOMDANCE is a new user-interfaced suite of machine learning-based tools, designed for investigating comparative molecular dynamics. The software can be used to identify key sites involved in dynamic responses during functional binding interactions involving DNA, small-molecule drugs, and virus-host recognition, as well as understanding shifts in global and local site coordination occurring during allosteric activation of a pathogenic protease.
This is an important tool for the scientific community, helping to open up new pathways in drug studies for multiple diseases, focused on how molecules move.
Read the paper by visiting: https://authors.elsevier.com/c/1isgh1SPT7sJw.