机译:通过分子动力学模拟探索醚功能化离子液体的自由体积,静电相互作用和侧链柔韧性之间的关系
Guizhou Provincial Key Laboratory of Computational Nano-Material Science Guizhou Education University No.115, Gaoxin Road, Guiyang, Guizhou, 550018, P. R. China.;
Molecular Dynamics Simulation; FREE VOLUME; kinetic simulationViscosityanionschain effectCationselectrostatic interactionsalkoxyl radicalIonic liquids;
机译:Exploring the proton Conductance and Drug Resistance of Bm2 Channel through molecular Dynamics simulations and Free Energy Calculations at Different pH Conditions