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Estimation of the ligand-binding free energy of checkpoint kinase 1 via non-equilibrium MD simulations Nguyen Thi Mai; Ngo Thi Lan; Vu, Thien Y.; Phuong Thi Mai Duong; Nguyen Thanh Tung; Huong Thi Thu Phung, JOURNAL OF MOLECULAR GRAPHICS & MODELLING, v.100, pp.107648, 2020-11 |
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