"Estimation of relative free energies of binding using pre-computed ..."

E. Prabhu Raman et al. (2017)

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DOI: 10.1002/JCC.24522

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type: Journal Article

metadata version: 2022-08-04

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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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