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Published in 2022 at "Chinese Physics B"
DOI: 10.1088/1674-1056/ac3a5c
Abstract: The molecular mechanics/Poisson–Boltzmann surface area (MM/PBSA) method has been widely used in predicting the binding affinity among ligands, proteins, and nucleic acids. However, the accuracy of the predicted binding energy by the standard MM/PBSA is…
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Keywords:
energy;
mechanics;
performance pbsa;
performance ... See more keywords