"Application of Free Energy Perturbation (FEP+) to Understanding Ligand ..."

Francesca Moraca et al. (2019)

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DOI: 10.1021/ACS.JCIM.9B00106

access: closed

type: Journal Article

metadata version: 2021-06-01

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Francesca Moraca, Ana Negri, Cesar de Oliveira, Robert Abel:
Application of Free Energy Perturbation (FEP+) to Understanding Ligand Selectivity: A Case Study to Assess Selectivity Between Pairs of Phosphodiesterases (PDE's). J. Chem. Inf. Model. 59(6): 2729-2740 (2019)

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