Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free energy calculations
基于结构的3D药效团建模在发现新型白细胞介素6抑制剂中的应用:计算机筛选、分子动力学模拟和结合自由能计算
期刊:PLoS One
影响因子:2.6
doi:10.1371/journal.pone.0266632
Tran, Que-Huong; Nguyen, Quoc-Thai; Vo, Nguyen-Quynh-Huong; Mai, Tan Thanh; Tran, Thi-Thuy-Nga; Tran, Thanh-Dao; Le, Minh-Tri; Trinh, Dieu-Thuong Thi; Thai, Khac-Minh