We select the model molecules that cover the most structures which contain transition metal atoms existed in Protein Data Bank (PDB), and optimize some othe
Graphene is a superstar in current material science and holds promise for many applications.However, many fundamental issues of graphene are still unclear a
G-protein-coupled receptors (GPCRs) are known as seven-transmembrane (TM) domain receptors which sense molecules outside the cell and activate in-cell signa
The simulation of biomolecules is an indispensable part in life sciences, bio-medicine ,bio-energy and other research fields.The accuracy of force field det