Re: [gmx-users] binding energy for membrane system

On 7/25/13 12:51 AM, Albert wrote: Hello: I notice that the manual or tutorial in Gromacs (FEP, unbralla sampling, TI and so on) website for binding energy evaluation are all for protein in water. I am just wondering how can we evaluate the protein/ligand binding affinity for membrane system

[gmx-users] binding energy for membrane system

Hello: I notice that the manual or tutorial in Gromacs (FEP, unbralla sampling, TI and so on) website for binding energy evaluation are all for protein in water. I am just wondering how can we evaluate the protein/ligand binding affinity for membrane system accurately? Probably the most diff