胍基-精氨酸作用及其在药物设计中的潜在应用

来源 :第十三届全国计算机化学学会会议 | 被引量 : 0次 | 上传用户:xmyone1
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
  With database survey,we found that there are 227 counterintuitive like-charge guanidinium pairings(Gdm+-Arg pairings)between ligands and receptors in the Protein Data Bank,implying the potential guanidinium-arginine binding between guanidine-containing drugs and their target proteins.We then searched DrugBank database and found that there are 145 guanidine-containing molecules,showing the prevalence of guanidinium groups in drugs.
其他文献
  本工作以本身无荧光的吡虫啉为模型分析物,通过光化学衍生诱导其产生荧光,并结合高阶校正算法实现复杂环境水体中无荧光或弱荧光农药分析物的无干扰定量分析。本文首次从
  气相色谱-质谱联用仪是很多领域用于分析混合有机物质的有效手段,谱库检索算法在质谱仪研发和应用中是决定物质准确识别的重要环节[1]。谱库检索方法的实现包括质谱数据库
  为解决不同光谱仪器之间光谱系统性差异问题,提出了一种基于集成式极限学习机自编码器的模型转移新方法(Calibration Transfer via Ensemble Extreme LearningMachine-Au
  研究一种快速、准确鉴别橄榄油掺假的方法,对于维护消费者健康及经济利益,提高橄榄油的品质有着重要的实际意义。本工作采用傅里叶变换红外光谱法(FTIR)结合偏最小二乘判别
  Liver plays a central role in transforming and clearing chemicals,and hence is susceptible to toxicity from these chemicals.Many chemicals including drugs,p
会议
  Gas chromatography-mass spectrometry(GC-MS)is an important and powerful tool that facilitates work in diverse fields concerned with complex mixtures of orga
会议
  燃料油中硫的排放对环境产生了巨大的污染.随着环境问题的日益严重,人们对环保的呼声越来越高.目前,氧化脱硫方法由于其温和的反应条件,设备简单等优势而成为国内外研究热点
  液相色谱-二极管阵列检测(HPLC-DAD)已广泛应用到复杂化学体系如生命、医学、药学、食品、环境中感兴趣目标物的定量分析。然而,在进行HPLC-DAD 分析时,面对复杂且多样的基
  Techniques of rare event dynamics were improved[1] and implemented along with biochemical simulation packages.Charged methyl guanidine is used as a model io
会议
  Transmembrane proteins such as GPCRs and voltage-gated potassium(Kv)channels are important drug targets.The members of a family of transmembrane proteins ar
会议