Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: Application to Permeability Prediction.

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Published in J Chem Inf Model on October 21, 2016

Authors

Qin Wang, Simone Sciabola, Gabriela Barreiro, Xinjun Hou, Guoyun Bai, Michael J Shapiro, Frank E Koehn, Anabella Villalobos, Matthew P Jacobson

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