Force field parameters for transition state-based ST6Gal I inhibitors
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https://figshare.com/articles/dataset/Force_field_parameters_for_transition_state-based_ST6Gal_I_inhibitors/5372788
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资源简介：
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
本数据集仓库收录了基于过渡态的ST6Gal I抑制剂的分子力场参数，相关研究成果已发表于以下学术论文：
Montgomery AP、Skropeta D、Yu H（2017）
基于过渡态的ST6Gal I抑制剂：通过焓熵补偿机制以三唑或氨基甲酸酯模拟磷酸二酯键。《科学报告》7:14428，DOI：10.1038/s41598-017-14560-0
创建时间：
2017-09-04
