A simple molecular mechanics force field for graphene(PPBE-G)was created by force matching the density functional theory......

In recent years,besides photocatalysis,much attention than ever before has focused on the nanoporous TiO2 in the applica......

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Using an example of a platform chemical 3-hydroxypropionic acid,we comprehensively illustrate a general process of fitti......

构效关系(QSAR)和对接(DOCK)是计算机辅助药物设计(CADD)的两个主要工具.二者都从药物配体与蛋白质受体间的对接自由能出发预测药......

In present work,we proposed two generic electrostaticmultipole-based force fields for protein coarse-grained(CG)simulati......

The pharmaceutical industry,challenged by increasingly difficult targets,is exploring uncommon modes of drug actions,suc......

　　Intrinsically disordered proteins(IDPs)are proteins which lack of specific tertiary structure and unable to fold spo......

Engineered sequence-specific zinc finger nucleases (ZFNs) make the highly efficient modification of eukaryotic genomes p......

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