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Comparison of molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) and molecular mechanics-three-dimensional reference interaction site model (MM-3D-RISM) method to calculate the binding free energy of protein-ligand complexes: Effect of metal ion and advance statistical test
Pandey, Preeti, Srivastava, Rakesh, Bandyopadhyay, PradiptaVolume:
695
Language:
english
Journal:
Chemical Physics Letters
DOI:
10.1016/j.cplett.2018.01.059
Date:
March, 2018
File:
PDF, 2.23 MB
english, 2018