ComputaBio uses the semi-continuous Poisson-Boltzmann theory to quantitatively map the thermodynamic quantity changes of ligand-bound receptors, non-ligand-bound receptors, and ligand structures. Such mapping can predict the stability of specific water molecules to ligand binding. Destabilization effects can also identify where the water molecule is bound and where it is disordered. Understanding these effects is helpful to optimize lead compounds and other aspects of drug design.
All biological processes occur in liquid. When small molecules and macromolecules interact, water molecules play a vital role. Therefore, these water molecules must be handled correctly. For example, when preparing the receptor structure for molecular docking, what kind of water should be retained as part of the receptor? What kind of water should be removed? The correct decision will vitally impact the follow-up work.
|Project name||Calculating Water Molecules Service|
|Samples requirements||Our calculating water molecules service requires you to provide specific requirements.|
|Screening cycle||Decide according to your needs.|
|Service including||We provide you with raw data and analysis service.|
ComputaBio' calculating water molecules service can significantly increase the hit rate of lead compounds and reduce the cost of later experimental screening. The treatment of water molecules is critical and needs to be handled correctly. ComputaBio can help you understand the role of water molecules in ligand-receptor interactions and make decisions. Our services is a personalized and customized innovative scientific research service. Each project needs to be evaluated before the corresponding analysis plan and price can be determined. If you want to know more about service prices or technical details, please feel free to contact us.