"Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: ..."

Qin Wang et al. (2016)

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DOI: 10.1021/ACS.JCIM.6B00237

access: closed

type: Journal Article

metadata version: 2020-06-25

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Qin Wang, Simone Sciabola, Gabriela Barreiro, Xinjun Hou, Guoyun Bai, Michael J. Shapiro, Frank Koehn, Anabella Villalobos, Matthew P. Jacobson:
Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: Application to Permeability Prediction. J. Chem. Inf. Model. 56(11): 2194-2206 (2016)

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