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g_mmpbsa - A GROMACS Tool for High-Throughput MM-PBSA Calculations

Journal of Chemical Information and Modeling, 2014
Molecular mechanics Poisson-Boltzmann surface area (MM-PBSA), a method to estimate interaction free energies, has been increasingly used in the study of biomolecular interactions.
R. Kumari, R. Kumar, A. Lynn
semanticscholar   +1 more source

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