qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps
qFit配体揭示了X射线电子密度图中类药分子的广泛构象异质性
期刊:Journal of Medicinal Chemistry
影响因子:6.8
doi:10.1021/acs.jmedchem.8b01292
van Zundert, Gydo C P; Hudson, Brandi M; de Oliveira, Saulo H P; Keedy, Daniel A; Fonseca, Rasmus; Heliou, Amelie; Suresh, Pooja; Borrelli, Kenneth; Day, Tyler; Fraser, James S; van den Bedem, Henry
