机译:分子洞察蛋白质 - 聚苯酚聚集:动态和拓扑描述
Chemical Engineering Department. Grupo de Investigacion en Quimica Teorica y Experimental (QuiTEx), Facultad Regional Resistencia, Universidad Tecnologica Nacional, French 414 (H3500CHJ), Resistencia, Chaco, Argentina;
Pi-pi interaction; Molecular Dynamics; hydrogen bondsElectron densityFood technologyRoot mean square deviationTernary mixtureschemistry computingagglomeration;
机译:Comment on: Effects of crystal chemistry on sodium oleate adsorption on fluorite surface investigated by molecular dynamics simulation: Renji Zheng, Zijie Ren, Huimin Gao, Zhijie Chen, Yupeng Qian, Yubiao Li, Minerals Engineering, vol. 124, pp. 77-85, 2018
机译:Dynamics Insight对热Criegee中间体CH3 CH3的异构化和解离
机译:Redesign Namd Molecular Dynamics非粘结力场在Sunway ManiveCore处理器上
机译:Membrane Permeability Prediction of Drug-like Molecules with Molecular Dynamics and Free Energy Calculations =基于分子动力学和自由能计算 的药物分子膜渗透性预测
机译:probing molecular-level transformations of dissolved organic matter: insights on photochemical degradation and protozoan modification of DOm from electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry