Covalent MD
Covalent binder to target protein has been attracting great attention in the development of small molecule drugs. VIVA AIDD/CADD platform provide the ability of understanding the dynamics of covalent binder in a protein by the covalent MD simulation module. Here you can upload a prepared covalent complex and start parameterizing your MD simulations!
Upload a prepared covalent ligand-protein complex PDB file
Job name
Job time (hours)
Force filed
AMBER ff14SB
Charges of Ligand(s)
Ligand charge method
RESP
Submit
Load Example