posted on 2017-09-04, 00:41authored byHaibo YuHaibo Yu, Andrew P. Montgomery, Danielle Skropeta
This depository contains the force field parameters for transition state-based ST6Gal I inhibitors reported in the following publication.
Montgomery AP, Skropeta D, Yu H (2017)
Transition state-based ST6Gal I inhibitors: Mimicking the phosphodiester
linkage with a triazole or carbamate through an enthalpy-entropy
compensation. Scientific Reports 7:14428 doi: 10.1038/s41598-017-14560-0
Funding
Australian Research Council; Illawarra Cancer Carers;