Oshiro Connie, Bradley Erin K, Eksterowicz John, Evensen Erik, Lamb Michelle L, Lanctot J Kevin, Putta Santosh, Stanton Robert, Grootenhuis Peter D J
Deltagen Research Laboratories, 740 Bay Road, Redwood City, California 94063, USA.
J Med Chem. 2004 Jan 29;47(3):764-7. doi: 10.1021/jm0300781.
The performance of docking studies into protein active sites constructed by homology model building was investigated using CDK2 and factor VIIa screening data sets. When the sequence identity between model and template near the binding site area is greater than approximately 50%, roughly 5 times more active compounds are identified than would be found randomly. This performance is comparable to docking to crystal structures.
利用CDK2和凝血因子VIIa筛选数据集，研究了在通过同源建模构建的蛋白质活性位点中进行对接研究的性能。当结合位点区域附近模型与模板之间的序列同一性大于约50%时，鉴定出的活性化合物数量大约比随机发现的多5倍。这种性能与对接晶体结构相当。
