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Aredesignmethodintegratedreversemodelingwithdeformationisproposedinthispaper.Sincetheir"natural"parametersarehardtobedefinedandextracted,inredesignwithdeformationweproposedealingwithfreeformproductmodelsbyextractingglobal…
Optimizationofnetworkparametersthroughredesignoperationswithinsimulatedannealing.Wehaveproposedacustom-madedesignandanalysistoolforthetopologyredesigninaclusterednetworkenvironment.Manyparametersdescribeacomputernetwork,suchastraffic,throughput,packetloss,delay,jitter,etc.
RationalRedesignofEnzymeviatheCombinationofQuantumMechanics/MolecularMechanics,MolecularDynamics,andStructuralBiologyStudyJournaloftheAmericanChemicalSociety(IF15.419)PubDate:2021-09-20,DOI:10.1021/jacs.1c06227
ComputationalRedesignofanω-TransaminasefromPseudomonasjesseniiforAsymmetricSynthesisofEnantiopureBulkyACSCatalysis(IF13.084)PubDate:2021-08-13,DOI:10.1021QinglongMeng,CarlosRamírez-Palacios,NikolasCapra,MattijsE.Hooghwinkel,SebastianThallmair,HenriëtteJ.Rozeboom,Andy-MarkW.H.Thunnissen,HeinJ.Wijma,SiewertJ.Marrink,DickB.Janssen
ComputationalRedesignofaPETaseforPlasticBiodegradationunderAmbientConditionbytheGRAPEStrategyACSCatalysis(IF13.084)PubDate:2021-01-13,DOI:10.1021/acscatal.0c05126
在这篇论文中，研究人员描述了四种不同的转化，全部都添加了铵（ammonium）。天冬氨酸酶是一种脱氨酶，所以反应是可逆的。每次转化，这一运算算法的初始选择产生了约100个有前景的突变体。然后研究人员分析其中明显的错误。
代表性论文1.CuiYL,WangYH,TianWY,BuYF,LiT,CuiXX,ZhuT,LiRF,WuB*.DevelopmentofaversatileandefficientC–Nlyaseplatformforasymmetrichydroaminationviacomputationalenzymeredesign.Nat.Catal.2021,4:364–373.doi:10
同步公众号(arXiv每日学术速递)，欢迎关注，感谢支持哦~cs.LG方向，今日共计92篇【1】EfficientandScalableBayesianNeuralNetswithRank-1Factors标题：具有秩-1因子的高效可扩展贝叶斯…
Wefurtherpresentenhancementscomputa-tionalenzymeredesignexperimentallyshownsignificantadditionalimprovementstargetsubstratespec-ificity.highestactivitynoncognatesubstrateexhibits1/6wild-typeenzyme/wild-typesubstrateactivity,furtherconfirmingourcomputationalapproach.Ourresultssuggeststructure-basedproteindesigncan...
AbstractByreducethestoichiometryratioofZnOrawmaterials,wesuccessfullyredesignandtailortheluminescencepropertiesofcommercialplasmagreenZn2SiO4:Mn2+phosphorsforusingaswhitelightemittingdiodesphosphorsduetothe...
Aredesignmethodintegratedreversemodelingwithdeformationisproposedinthispaper.Sincetheir"natural"parametersarehardtobedefinedandextracted,inredesignwithdeformationweproposedealingwithfreeformproductmodelsbyextractingglobal…
Optimizationofnetworkparametersthroughredesignoperationswithinsimulatedannealing.Wehaveproposedacustom-madedesignandanalysistoolforthetopologyredesigninaclusterednetworkenvironment.Manyparametersdescribeacomputernetwork,suchastraffic,throughput,packetloss,delay,jitter,etc.
RationalRedesignofEnzymeviatheCombinationofQuantumMechanics/MolecularMechanics,MolecularDynamics,andStructuralBiologyStudyJournaloftheAmericanChemicalSociety(IF15.419)PubDate:2021-09-20,DOI:10.1021/jacs.1c06227
ComputationalRedesignofanω-TransaminasefromPseudomonasjesseniiforAsymmetricSynthesisofEnantiopureBulkyACSCatalysis(IF13.084)PubDate:2021-08-13,DOI:10.1021QinglongMeng,CarlosRamírez-Palacios,NikolasCapra,MattijsE.Hooghwinkel,SebastianThallmair,HenriëtteJ.Rozeboom,Andy-MarkW.H.Thunnissen,HeinJ.Wijma,SiewertJ.Marrink,DickB.Janssen
ComputationalRedesignofaPETaseforPlasticBiodegradationunderAmbientConditionbytheGRAPEStrategyACSCatalysis(IF13.084)PubDate:2021-01-13,DOI:10.1021/acscatal.0c05126
在这篇论文中，研究人员描述了四种不同的转化，全部都添加了铵（ammonium）。天冬氨酸酶是一种脱氨酶，所以反应是可逆的。每次转化，这一运算算法的初始选择产生了约100个有前景的突变体。然后研究人员分析其中明显的错误。
代表性论文1.CuiYL,WangYH,TianWY,BuYF,LiT,CuiXX,ZhuT,LiRF,WuB*.DevelopmentofaversatileandefficientC–Nlyaseplatformforasymmetrichydroaminationviacomputationalenzymeredesign.Nat.Catal.2021,4:364–373.doi:10
同步公众号(arXiv每日学术速递)，欢迎关注，感谢支持哦~cs.LG方向，今日共计92篇【1】EfficientandScalableBayesianNeuralNetswithRank-1Factors标题：具有秩-1因子的高效可扩展贝叶斯…
Wefurtherpresentenhancementscomputa-tionalenzymeredesignexperimentallyshownsignificantadditionalimprovementstargetsubstratespec-ificity.highestactivitynoncognatesubstrateexhibits1/6wild-typeenzyme/wild-typesubstrateactivity,furtherconfirmingourcomputationalapproach.Ourresultssuggeststructure-basedproteindesigncan...
AbstractByreducethestoichiometryratioofZnOrawmaterials,wesuccessfullyredesignandtailortheluminescencepropertiesofcommercialplasmagreenZn2SiO4:Mn2+phosphorsforusingaswhitelightemittingdiodesphosphorsduetothe...
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