Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: Application to Permeability Prediction.
Qin WangSimone SciabolaGabriela BarreiroXinjun HouGuoyun BaiMichael J. ShapiroFrank KoehnAnabella VillalobosMatthew P. JacobsonPublished in: J. Chem. Inf. Model. (2016)