Re: [gmx-users] Calculating Binding Affinity between Protein and Ligand using FEP

2010-03-06 Thread Justin A. Lemkul
sunita gupta wrote: Hello all Earlier also I posted a query regarding FEP for protein ligand complex, but I dint not help much. Again I would like to share detailed information regarding the protocol I am following for calculation the binding free energy between protein and ligand using FEP

[gmx-users] Calculating Binding Affinity between Protein and Ligand using FEP

2010-03-06 Thread sunita gupta
Hello all Earlier also I posted a query regarding FEP for protein ligand complex, but I dint not help much. Again I would like to share detailed information regarding the protocol I am following for calculation the binding free energy between protein and ligand using FEP(free energy perturbation)