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北京大学 [40]

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期刊论文 [37]

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限定条件	专题：北京大学第一署名单位第一作者单位通讯作者单位

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	Ultrathin dendrimer-graphene oxide composite film for stable cycling lithium-sulfur batteries 期刊论文 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2017 Liu, Wen; Jiang, Jianbing; Yang, Ke R.; Mi, Yingying; Kumaravadivel, Piranavan; Zhong, Yiren; Fan, Qi; Weng, Zhe; Wu, Zishan; Cha, Judy J.; Zhou, Henghui; Batista, Victor S.; Brudvig, Gary W.; Wang, Hailiang 收藏 \| 浏览/下载：7/0 \| 提交时间：2017/12/03 lithium-sulfur battery ultrathin composite film dendrimer graphene oxide long cycle LI-S BATTERIES SULFIDE CATHODES HIGH-CAPACITY PERFORMANCE POLYSULFIDES ENERGY INTERLAYER CHEMISTRY BINDERS BINDING
	Single Mutations Reshape the Structural Correlation Network of the DMXAA-Human STING Complex 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2017 Che, Xing; Du, Xiao-Xia; Cai, Xiaoxia; Zhang, Jun; Xie, Wen Jun; Long, Zhuoran; Ye, Zhao-Yang; Zhang, Heng; Yang, Lijiang; Su, Xiao-Dong; Gao, Yi Qin 收藏 \| 浏览/下载：8/0 \| 提交时间：2017/12/03 MOLECULAR-DYNAMICS SIMULATIONS PROTEIN-LIGAND BINDING 2-PHASE THERMODYNAMIC MODEL WATER-MEDIATED INTERACTIONS CYCLIC DI-GMP FREE-ENERGY ENTROPY DNA COMPENSATION RECOGNITION
	Interplay between binding affinity and kinetics in protein-protein interactions 期刊论文 PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2016 Cao, Huaiqing; Huang, Yongqi; Liu, Zhirong 收藏 \| 浏览/下载：5/0 \| 提交时间：2017/12/03 intrinsically disordered proteins protein-protein interaction binding affinity coarse-grained model linear free-energy relationship INTRINSICALLY DISORDERED PROTEINS SIDE-CHAIN INTERACTIONS COARSE-GRAINED MODELS TRANSITION-STATE NONNATIVE INTERACTIONS UNSTRUCTURED PROTEINS INTERACTION NETWORKS ENERGY LANDSCAPE NATIVE TOPOLOGY FOLDING RATES
	Computational design of proteins with novel structure and functions 期刊论文 CHINESE PHYSICS B, 2016 Yang, Wei; Lai, Lu-Hua 收藏 \| 浏览/下载：4/0 \| 提交时间：2017/12/03 computational protein design de novo protein design enzyme design protein-protein interaction ATOMIC-LEVEL ACCURACY HIGH-ACTIVITY MUTANTS DE-NOVO DESIGN ENERGY FUNCTIONS ENZYME DESIGN SIDE-CHAIN HUMAN BUTYRYLCHOLINESTERASE BINDING-PROTEINS 4-HELIX BUNDLE FORCE-FIELD
	Simulation Studies of Protein and Small Molecule Interactions and Reaction 期刊论文 COMPUTATIONAL APPROACHES FOR STUDYING ENZYME MECHANISM, PT B, 2016 Yang, L.; Zhang, J.; Che, X.; Gao, Y. Q. 收藏 \| 浏览/下载：3/0 \| 提交时间：2017/12/04 Conformational change,Enhanced sampling,Enzymatic reaction,Ligand binding,Ligand transportation,Molecular simulation CARBAMOYL-PHOSPHATE SYNTHETASE SYNTHASE/CARBON MONOXIDE DEHYDROGENASE DEPENDENT NAD(+) SYNTHETASE HISTOGRAM ANALYSIS METHOD FREE-ENERGY CALCULATIONS ESCHERICHIA-COLI DYNAMICS SIMULATIONS TRYPTOPHAN SYNTHASE AMMONIA CHANNEL ACTIVE-SITE
	Discovery of binding proteins for a protein target using protein-protein docking-based virtual screening 期刊论文 proteins structure function and bioinformatics, 2014 Zhang, Changsheng; Tang, Bo; Wang, Qian; Lai, Luhua 收藏 \| 浏览/下载：2/0 \| 提交时间：2015/11/13 protein-protein docking virtual screening protein design protein-protein interaction prediction binding energy landscape TNF alpha COMPUTATIONAL DESIGN CRYSTAL-STRUCTURE DRUG DESIGN TNF-ALPHA THERAPEUTICS PERSPECTIVE PREDICTION SCAFFOLDS EVOLUTION BIOLOGY
	Molecular docking and molecular dynamics studies on the structure-activity relationship of fluoroquinolone for the HERG channel 期刊论文分子生物系统, 2014 Luo, Fang; Gu, Jiangyong; Chen, Lirong; Xu, Xiaojie 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/10 POLYMORPHIC VENTRICULAR-TACHYCARDIA INTERVAL PROLONGATION POTASSIUM CHANNEL FREE-ENERGY K+ CHANNEL CARDIAC-ARRHYTHMIA LIGAND-BINDING QT INTERVAL FORCE-FIELD DRUG
	Irreversible Denaturation of Proteins through Aluminum-Induced Formation of Backbone Ring Structures 期刊论文 angewandte chemie international edition, 2014 Song, Bo; Sun, Qian; Li, Haikuo; Ge, Baosheng; Pan, Ji Sheng; Wee, Andrew Thye Shen; Zhang, Yong; Huang, Shaohua; Zhou, Ruhong; Gao, Xingyu; Huang, Fang; Fang, Haiping 收藏 \| 浏览/下载：4/0 \| 提交时间：2015/11/11 aluminum aluminum-related diseases peptides protein denaturation ALZHEIMERS-DISEASE ALPHA-SYNUCLEIN PROGRAM PACKAGE ACCUMULATION DIALYSIS BINDING HYDROXIDE ENERGY VIRUS BRAIN
	Understanding traditional Chinese medicine anti-inflammatory herbal formulae by simulating their regulatory functions in the human arachidonic acid metabolic network 期刊论文分子生物系统, 2013 Gu, Shuo; Yin, Ning; Pei, Jianfeng; Lai, Luhua 收藏 \| 浏览/下载：6/0 \| 提交时间：2015/11/10 BINDING FREE-ENERGY CRYSTAL-STRUCTURE DRUG DISCOVERY INHIBITORS DOCKING DESIGN TARGET VALIDATION SYNTHASE-1 MECHANISM
	Ligand Clouds around Protein Clouds: A Scenario of Ligand Binding with Intrinsically Disordered Proteins 期刊论文 plos computational biology, 2013 Jin, Fan; Yu, Chen; Lai, Luhua; Liu, Zhirong 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/10 SECONDARY STRUCTURE ENERGY LANDSCAPE CHEMICAL-SHIFTS MYC-MAX MOLECULAR SIMULATIONS UNSTRUCTURED PROTEINS TRANSCRIPTION FACTORS COUPLED BINDING PHYSICAL BASIS C-MYC

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