A new tool has been made that will help scientist and researchers around the world simulate protein interaction in more of a real time setting called fABMACS.
Historically, proteins have been looked at in a more static model, as anything more complex or dynamic required extremely difficult programs and models. However widespread use of the fABMACS software may change this.
From the article in scicast-
“The goal of targeted drug design is to create a molecule that interacts specifically with a protein, and this requires a description of protein-drug interactions that is precise–down to the placement of each atom,” said Bradley Dickson, Ph.D., a computational biophysicist in the laboratory of Scott Rothbart, Ph.D., at Van Andel Research Institute (VARI) and first author of a paper describing the tool. “The creation of fABMACS is a significant step toward robust virtual drug discovery because it saves time and money. It allows us to better harness the power of existing software while greatly improving our ability to predict the way that a potential drug interacts with a protein.”
Why this is useful – The biggest problem in creating new and synthetic proteins in that the static models that are used currently don’t adequately describe the complex series of interactions and changes a protein undergoes in its lifetime and makes it entirely too difficult to develop any synthetic proteins or chemicals that can interact with each other.
This is a huge step in developing new proteins or even modeling current medicine and protein interactions.
If you have any other questions about this program you can check out the article I got the quote from at https://scicasts.com/bio-it/1844-bioinformatics/11963-new-computational-tool-may-speed-drug-discovery/
Or look at the code directly on the labs github account here – https://github.com/BradleyDickson/fABMACS