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"Estimation of relative free energies of binding using pre-computed ..."
E. Prabhu Raman et al. (2017)
- E. Prabhu Raman
, Sirish Kaushik Lakkaraju
, Rajiah Aldrin Denny, Alexander D. MacKerell Jr.:
Estimation of relative free energies of binding using pre-computed ensembles based on the single-step free energy perturbation and the site-identification by Ligand competitive saturation approaches. J. Comput. Chem. 38(15): 1238-1251 (2017)
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