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Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free energy calculations
Tran QH,
Nguyen QT,
Vo NQH,
Mai TT,
Tran TTN,
et al.
(2022)
Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free energy calculations.
PLOS ONE 17(4): e0266632.
https://doi.org/10.1371/journal.pone.0266632