ADMET-Guided Docking and GROMACS Molecular Dynamics of Ziziphus lotus Phytochemicals Uncover Mutation-Agnostic Allosteric Stabilisers of the KRAS Switch-I/II Groove
ADMET引导的分子对接和GROMACS分子动力学模拟揭示了枣树植物化学物质中与突变无关的KRAS开关I/II槽变构稳定剂
期刊:Pharmaceuticals
影响因子:4.8
doi:10.3390/ph18081110
Rahimi, Abdessadek; Khibech, Oussama; Benabbou, Abdessamad; Merzouki, Mohammed; Bouhrim, Mohamed; Al-Zharani, Mohammed; Nasr, Fahd A; Ahmed Qurtam, Ashraf; Abadi, Said; Challioui, Allal; Mimouni, Mostafa; Elbekay, Maarouf