Free energy grids: a practical qualitative application of free energy perturbation to ligand design using the OWFEG method.

Pearlman, D A

Free energy grids: a practical qualitative application of free energy perturbation to ligand design using the OWFEG method. [electronic resource] - Journal of medicinal chemistry Oct 1999 - 4313-24 p. digital

Publication Type: Journal Article

0022-2623

10.1021/jm990133z doi


Drug Design
Ligands
Models, Molecular
Structure-Activity Relationship
Tacrolimus--chemistry