Wei Cui, Yuanhua Cheng, Lingling Geng, Den-Sheng Liang, Tingjun Hou, Mingjuan Ji. Unraveling the Allosteric Inhibition Mechanism of PTP1B by Free Energy Calculation Based on Umbrella Sampling. Journal of Chemical Information and Computer Sciences, 53(5):1157-1167, 2013. [doi]
Abstract is missing.