Insight into the molecular mechanism of yeast acetyl-coenzyme A carboxylase mutants F510I, N485G, I69E, E477R, and K73R resistant to soraphen A. - Jian Gao 004; Li Liang; Qingqing Chen; Ling Zhang; Tonghui Huang (J. Comput. Aided Mol. Des., 2018)

Assessing the performance of three resveratrol in binding with SIRT1 by molecular dynamics simulation and MM/GBSA methods: the weakest binding of resveratrol 3 to SIRT1 triggers a possibility of dissociation from its binding site. - Han Chen; Yan Wang; Zheng Gao; Wen Yang; Jian Gao 004 (J. Comput. Aided Mol. Des., 2019)