Journal of Chemical Theory and Computation· 2012Q1
<i>MMPBSA.py</i>: An Efficient Program for End-State Free Energy Calculations
- 4,537citations
- Q1SCImago
- 2012year
Short summary
MMPBSA.py is a new Python program that streamlines end-state free energy calculations for molecules in solution, offering multiple solvation models and parallel processing for speed.
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Atomic and Molecular Physics, and OpticsPhysics and Astronomy