The transdisciplinary research for drug discovery Lab & Studio provides different services according to our user´s requirements; our services include but are not limited to molecular dynamics simulation, drug design, virtual screening, quantum chemical calculation, and etc. Feel free to contact us to some service request.  

Molecular Dynamics is a set of molecular simulation methods for the study of condensed matter systems, through which the trajectory of the atoms in the system is obtained and various details of the movement process of the atoms, their stability and interactions that allow understanding and predicting a system.

Molecular docking is a structure-based drug design method that predicts the binding mode and affinity between a drug and its target protein by studying the interaction of small molecule ligands with receptor biomacromolecules. Furthermore, it can allow the understanding of the interaction between two bimacromolecules as protein-protein interaction.

The three-dimensional structure of a protein provides basic information about its biological function and helps design therapeutic drugs that specifically bind to protein targets. Here we provide a different calculation method as an alternative and supplement except for experimental methods to obtain the three-dimensional structure of the protein. 

Quantum Chemistry services allow describe protein systems, including ligands and solvents, to better understand protein-ligand interactions with greater accuracy. 

The Transdisciplinary Research for Drug Discovery Lab & Studio wants to hear from you.