The drug design service we provide needs to meet the following conditions. Molecular docking is mainly used to determine the optimal position and orientation of small molecules in protein targets. Although the success of this method depends on the target and software, it is also associated with poor binding affinity. The quality of protein-ligand interaction can be expressed to some extent by ligand efficiency (Ligand efficiency, LE), that is, the average binding energy of each ligand's non-hydrogen atom. However, most studies of molecular docking predictions favor molecular binding to protein targets with detectable affinity and usable crystal structure.
Figure 1. The whole process of drug design
|Project name||Structure-based drug design|
|Samples requirement||Our structure-based drug design requires you to provide specific drug screening requirements.|
|Timeline||Decide according to your needs.|
|Deliverables||We provide you with raw data and calculation result analysis service.|
CD ComputaBio is a professional and efficient team. Our experts have professional knowledge background and have cooperated with many well-known companies many times. Treating customers' projects CD ComputaBio is racing against time, mission must be reached, efficient and timely delivery of tasks, customer satisfaction and trust. If you have drug design needs, please feel free to contact us.