https://github.com/barbagroup/bempp_exafmm_paper -

Substantial new results added: thorough study of binding-energy for nine structures, with 5 software packages (new table and figures). Finding: results with our method fall in all cases within the range of others; visualize this finding in Figure 3, where each vertical line corresponds to one protein complex, with different-color markers for each code (MIBPB, Delphi, PBSA, APBS, Bempp, ACG). Used for appeal on rejection from Feb. 2022. Third revision submitted Sept. 2022. (Matches v3 of arXiv preprint.)

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Published by labarba over 3 years ago