A peptide-linkage deletion procedure for estimate of energetic contributions of individual peptide groups in a complex environment: Application to parallel beta-sheets [0.03%]
一种用于估算复杂环境中肽单元能量贡献的去肽连接方法及其在平行β-折叠中的应用
Haobo Guo,Andrey Gorin,Hong Guo
Haobo Guo
A peptide-linkage deletion procedure is introduced for extracting the quantum mechanical (QM) interaction energies of individual groups in a complex environment and applied for the determination of the energetic contributions of the individ...
Attractive energy and entropy or particle size: the yin and yang of physical and biological science [0.03%]
吸引力与熵或粒子大小：物理和生物科学的阴阳属性
Douglas Henderson
Douglas Henderson
It is well known that equilibrium in a thermodynamic system results from a competition or balance between lowering the energy and increasing the entropy, or at least the product of the temperature and entropy. This is remarkably similar to ...
Adaptive Multi-Kernel Graph Neural Network for Drug-Drug Interaction Prediction [0.03%]
自适应多核图神经网络的药物相互作用预测方法
Combination therapy, which synergistically enhances treatment efficacy and inhibits disease progression through the combined effects of multiple drugs, has emerged as a mainstream approach for treating complex diseases and alleviating sympt...