Molecular dynamics is a computer simulation method for analyzing membrane proteins and systems. All atomic and coarse-grained simulations can be used to explore membrane protein interactions with specific lipids in detail, predicting lipid-binding sites that are highly consistent with available structural data. On the basis of successful protein-lipid interaction simulations, large-scale simulations revealed protein crowding and aggregation, resulting in slow and abnormal diffusion kinetics within the true cell membrane model. The current method allows near-atomic resolution simulation of small membrane organelles and enveloped viruses, thereby revealing key aspects of their structural and functionally important dynamics.
Figure 1. Membrane protein molecular dynamics.
Membrane proteins play a key role in cell biology. About 20% of genes encode membrane proteins, which constitute the main drug target category. Significant progress has been made in the structural biology of membrane proteins. More than 2500 structures have been generated in PDB, which is equivalent to more than 700 different membrane protein types. Simulations using molecular dynamics has become an important complement to the experimental structure and biophysical techniques for studying membrane proteins and their interaction with lipids. CD ComputaBio uses molecular dynamics to simulate single membrane proteins and more complex membrane systems.
|Project name||Membrane proteins molecular dynamics simulation service|
|Samples requirement||The initial structure of the membrane proteins, PDB ID, etc.|
|Timeline||Depends on the time you need to simulate.|
|Deliverables||We provide you with raw data and calculation result analysis service.|
As one of the world's leading computational biology companies, CD ComputaBio can offer you with professional member molecular dynamics simulations to customers. With years of experience in the field of bioinformatics, we are willing to provide customers with the best molecular dynamic simulation services!