Improved Computation of Protein-Protein Relative Binding Energies with the Nwat-MMGBSA Method.

Maffucci, Irene

Improved Computation of Protein-Protein Relative Binding Energies with the Nwat-MMGBSA Method. [electronic resource] - Journal of chemical information and modeling 09 2016 - 1692-704 p. digital

Publication Type: Journal Article

1549-960X

10.1021/acs.jcim.6b00196 doi


Drug Design
Hydrogen Bonding
Molecular Dynamics Simulation
Protein Binding
Protein Conformation
Protein Interaction Mapping
Proteins--chemistry
Thermodynamics
Water--chemistry