分子动力学模拟技术在生物分子研究中的进展
曹了然， 张春煜， 张鼎林， 楚慧郢， 张跃斌， 李国辉 - 物理化学学报, 2017 - whxb.pku.edu.cn
… using OPLS-AA. The required simulation time was decreased by a factor of 40 while via
reweighting the mean free energy … help crossing free energy barriers and enhance sampling. …
reweighting the mean free energy … help crossing free energy barriers and enhance sampling. …
高压锂电池正极电解质界面研究进展
刘建东， 张志佳， 马建民 - 物理化学学报, 2023 - whxb.pku.edu.cn
… to enhance battery cycling stability at high voltage through … and the research methods involved
is absolutely essential. … behavior of the electrolyte, such as OPLS-AA force field. Thanks to …
is absolutely essential. … behavior of the electrolyte, such as OPLS-AA force field. Thanks to …
[PDF][PDF] 氧化石墨烯吸附水体中酚类有机污染物的分子动力学模拟
赵超锋， 金佳人， 霍英忠， 孙陆， 艾玥洁 - 无机材料学报, 2020 - researching.cn
… hydrogen bonds, may also improve the adsorption capacity of GO … 邢宝山课题组[21, 28-29]通过
OPLS-AA 力 场成功模拟了多种… umbrella sampling with free energy calculations. Computer …
OPLS-AA 力 场成功模拟了多种… umbrella sampling with free energy calculations. Computer …
[PDF][PDF] 基于1H-NMR代谢组学技术的D-半乳糖致衰老大鼠尿液代谢谱的动态变化
赵凡凡， 周玉枝， 常艳芬， 高丽… - 中国药理学与毒 …, 2017 - cjpt.magtechjournal.com
… OPLS-DA was applied to filter out variations and missing values unrelated to the classification.
The supervised OPLS-DA, which could improve … With the increase in the absolute value of …
The supervised OPLS-DA, which could improve … With the increase in the absolute value of …