Protein molecular dynamics (MD) is a computer simulation technique that allows the use of physics laws to predict the time-dependent evolution of interacting particle systems. Considering the flexibility of proteins, it is essential to study the dynamic development of biological systems, because many biological phenomena involving proteins are dynamic processes, including transport, molecular recognition, enzyme catalysis, and allosteric regulation. Static models generated by NMR, X-ray crystallography and homology modeling provide valuable insights into the structure of macromolecules, while MD simulation can provide information about protein conformation changes and binding under predetermined physiological conditions (e.g., temperature, pressure). Thermodynamic atomic level information allows the study of protein systems in a time frame that is not accessible by current experimental methods.
Figure 1. Protein molecular dynamics (MD) simulation systems.
CD ComputaBio uses the most advanced software tools to study the molecular dynamics of protein systems. The general workflow of our MD simulation service includes the following steps:
Figure 2. Molecular dynamics simulation process.
|Project name||Protein molecular dynamics simulation service|
|Samples requriements||The initial structure of the protein, PDB ID, etc.|
|Detection cycle||Depends on the time you need to simulate.|
|Service including||We provide you with raw data and calculation result analysis service.|
CD ComputaBio has rich practical experience and core technology in molecular dynamics simulation, and provides high-quality and high-quality technical services for scientific researchers. Our molecular dynamics simulations provide accurate approximations of real molecular behaviors, and have proven to be very useful in understanding the biochemical basis of physiological events at different stages of drug development, even in different fields such as materials science. Welcome to contact us!