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Luhua Lai

Research Profile

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Chemicals & Drugs

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Protein Binding

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SARS Virus

Genes & Molecular Sequences

Amino Acid Sequences

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Publications

TOP 3
Ning Yin; Jianfeng Pei; Luhua Lai
A comprehensive analysis of the influence of drug binding kinetics on drug action at molecular and systems levels.
Shan He; Cong Li; Ying Liu; Luhua Lai
Discovery of highly potent microsomal prostaglandin e2 synthase 1 inhibitors using the active conformation structural model and virtual screen.
Hu Meng; Yujing Zhai; Ying Liu; Luhua Lai
Optimization of 5-hydroxytryptamines as dual function inhibitors targeting phospholipase A2 and leukotriene A4 hydrolase.

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All Publications

2013: Ning Yin; Jianfeng Pei; Luhua Lai
A comprehensive analysis of the influence of drug binding kinetics on drug action at molecular and systems levels.
Molecular bioSystems 2013;9(6):1381-9.
2013: Shan He; Cong Li; Ying Liu; Luhua Lai
Discovery of highly potent microsomal prostaglandin e2 synthase 1 inhibitors using the active conformation structural model and virtual screen.
Journal of medicinal chemistry 2013;56(8):3296-309.
2013: Hu Meng; Yujing Zhai; Ying Liu; Luhua Lai
Optimization of 5-hydroxytryptamines as dual function inhibitors targeting phospholipase A2 and leukotriene A4 hydrolase.
European journal of medicinal chemistry 2013;59():160-7.
2013: Yaxia Yuan; Jianfeng Pei; Luhua Lai
Binding site detection and druggability prediction of protein targets for structure-based drug design.
Current pharmaceutical design 2013;19(12):2326-33.
2012: Qi Ouyang; Luhua Lai; Chao Tang
Designing the scientific cradle for quantitative biologists.
ACS synthetic biology 2012;1(7):254-5.
2012: Chong He; Yongquan Lai; Ying Liu; Yiran Wu; Zongwei Cai; Luhua Lai
Dynamic eicosanoid responses upon different inhibitor and combination treatments on the arachidonic acid metabolic network.
Molecular bioSystems 2012;8(5):1585-94.
2012: Changsheng Zhang; Luhua Lai
AutoMatch: target-binding protein design and enzyme design by automatic pinpointing potential active sites in available protein scaffolds.
Proteins 2012;80(4):1078-94.
2012: Yiran Wu; Ying Liu; Yang Gao; Chong He; Shan He; Luhua Lai
Dynamic modeling of human 5-lipoxygenase-inhibitor interactions helps to discover novel inhibitors.
Journal of medicinal chemistry 2012;55(6):2597-605.
2012: Yifei Qi; Huanhuan Liang; Xinping Han; Luhua Lai
Sequence preference of α-helix N-terminal tetrapeptide.
Protein and peptide letters 2012;19(3):345-52.
2012: Minxie Qian; Youqi Tang; Guangteng Wu; Qichen Huang; Luhua Lai; Jianfeng Pei; Masami Kusunoki
Crystal structure analysis of a recombinant predicted acetamidase/formamidase from the thermophile Thermoanaerobacter tengcongensis.
The protein journal 2012;31(2):166-74.
2011: Shan He; Yiran Wu; Daqi Yu; Luhua Lai
Microsomal prostaglandin E synthase-1 exhibits one-third-of-the-sites reactivity.
The Biochemical journal 2011;440(1):13-21.
2011: Changsheng Zhang; Luhua Lai
Towards structure-based protein drug design.
Biochemical Society transactions 2011;39(5):1382-6, suppl 1 p following 1386.
2011: Changsheng Zhang; Luhua Lai
SDOCK: a global protein-protein docking program using stepwise force-field potentials.
Journal of computational chemistry 2011;32(12):2598-612.
2011: Yiran Wu; Zheng Chen; Ying Liu; Lanlan Yu; Lu Zhou; Suijia Yang; Luhua Lai
Quinoline-4-methyl esters as human nonpancreatic secretory phospholipase A₂ inhibitors.
Bioorganic & medicinal chemistry 2011;19(11):3361-6.
2011: Zheng Chen; Yiran Wu; Ying Liu; Suijia Yang; Yunjie Chen; Luhua Lai
Discovery of dual target inhibitors against cyclooxygenases and leukotriene A4 hydrolyase.
Journal of medicinal chemistry 2011;54(10):3650-60.
2011: Yong Yang; Yongchun Xu; Tie Xia; Fangjin Chen; Chunling Zhang; Wei Liang; Luhua Lai; Xiaohong Fang
A single-molecule study of the inhibition effect of Naringenin on transforming growth factor-β ligand-receptor binding.
Chemical communications (Cambridge, England) 2011;47(19):5440-2.
2011: Hongjun Bai; Kun Yang; Daqi Yu; Changsheng Zhang; Fangjin Chen; Luhua Lai
Predicting kinetic constants of protein-protein interactions based on structural properties.
Proteins 2011;79(3):720-34.
2011: Lu Wang; Luhua Lai; Qi Ouyang; Chao Tang
Flux balance analysis of ammonia assimilation network in E. coli predicts preferred regulation point.
PloS one 2011;6(1):e16362.
2010: Dengguo Wei; Hao Zheng; Naifang Su; Minghua Deng; Luhua Lai
Binding energy landscape analysis helps to discriminate true hits from high-scoring decoys in virtual screening.
Journal of chemical information and modeling 2010;50(10):1855-64.
2010: Xiaolu Jiang; Lu Zhou; Yiran Wu; Dengguo Wei; Chunyi Sun; Jia Jia; Ying Liu; Luhua Lai
Modulating the substrate specificity of LTA4H aminopeptidase by using chemical compounds and small-molecule-guided mutagenesis.
Chembiochem : a European journal of chemical biology 2010;11(8):1120-8.
2010: Yifei Qi; Yongqi Huang; Huanhuan Liang; Zhirong Liu; Luhua Lai
Folding simulations of a de novo designed protein with a betaalphabeta fold.
Biophysical journal 2010;98(2):321-9.
2009: Huanhuan Liang; Hao Chen; Keqiang Fan; Ping Wei; Xianrong Guo; Changwen Jin; Chen Zeng; Chao Tang; Luhua Lai
De novo design of a beta alpha beta motif.
Angewandte Chemie (International ed. in English) 2009;48(18):3301-3.
2008: Xiaolu Jiang; Lu Zhou; Dengguo Wei; Hu Meng; Ying Liu; Luhua Lai
Activation and inhibition of leukotriene A4 hydrolase aminopeptidase activity by diphenyl ether and derivatives.
Bioorganic & medicinal chemistry letters 2008;18(24):6549-52.
2008: Li Quan; Dengguo Wei; Xiaolu Jiang; Yang Liu; Zhiyu Li; Na Li; Kean Li; Feng Liu; Luhua Lai
Resurveying the Tris buffer solution: the specific interaction between tris(hydroxymethyl)aminomethane and lysozyme.
Analytical biochemistry 2008;378(2):144-50.
2008: Wei Deng; Aoneng Cao; Luhua Lai
Distinguishing the cross-beta spine arrangements in amyloid fibrils using FRET analysis.
Protein science : a publication of the Protein Society 2008;17(6):1102-5.
2008: Aoneng Cao; Zheng Wang; Ping Wei; Fei Xu; Jie Cao; Luhua Lai
Preheating induced homogeneity of the small heat shock protein from Methanococcus jannaschii.
Biochimica et biophysica acta 2008;1784(3):489-95.
2008: Hongjun Bai; Wenzhe Ma; Shiyong Liu; Luhua Lai
Dynamic property is a key determinant for protein-protein interactions.
Proteins 2008;70(4):1323-31.
2008: Kun Yang; Hongjun Bai; Qi Ouyang; Luhua Lai; Chao Tang
Finding multiple target optimal intervention in disease-related molecular network.
Molecular systems biology 2008;4():228.
2007: Wei Deng; Aoneng Cao; Luhua Lai
Detecting the inter-peptide arrangement and maturation process of transthyretin (105-115) amyloid fibril using a FRET pair with short Förster distance.
Biochemical and biophysical research communications 2007;362(3):689-94.
2007: Qingliang Li; Andreas Bender; Jianfeng Pei; Luhua Lai
A large descriptor set and a probabilistic kernel-based classifier significantly improve druglikeness classification.
Journal of chemical information and modeling 2007;47(5):1776-86.
2007: Zhuqing Zhang; Hao Chen; Luhua Lai
Identification of amyloid fibril-forming segments based on structure and residue-based statistical potential.
Bioinformatics (Oxford, England) 2007;23(17):2218-25.
2007: Zhuqing Zhang; Hao Chen; Hongjun Bai; Luhua Lai
Molecular dynamics simulations on the oligomer-formation process of the GNNQQNY peptide from yeast prion protein Sup35.
Biophysical journal 2007;93(5):1484-92.
2007: Ji Cheng; Jianfeng Pei; Luhua Lai
A free-rotating and self-avoiding chain model for deriving statistical potentials based on protein structures.
Biophysical journal 2007;92(11):3868-77.
2007: Shiyong Liu; Shiyong Liu; Xiaolei Zhu; Huanhuan Liang; Aoneng Cao; Zhijie Chang; Luhua Lai
Nonnatural protein-protein interaction-pair design by key residues grafting.
Proceedings of the National Academy of Sciences of the United States of America 2007;104(13):5330-5.
2007: Kun Yang; Wenzhe Ma; Huanhuan Liang; Qi Ouyang; Chao Tang; Luhua Lai
Dynamic simulations on the arachidonic acid metabolic network.
PLoS computational biology 2007;3(3):e55.
2007: Qingliang Li; Luhua Lai
Prediction of potential drug targets based on simple sequence properties.
BMC bioinformatics 2007;8():353.
2007: Ming-Rui Duan; Jie Nan; Yu-He Liang; Peng Mao; Lu Lu; Lanfen Li; Chunhong Wei; Luhua Lai; Yi Li; Xiao-Dong Su
DNA binding mechanism revealed by high resolution crystal structure of Arabidopsis thaliana WRKY1 protein.
Nucleic acids research 2007;35(4):1145-54.
2006: Jing Chen; Luhua Lai
Pocket v.2: further developments on receptor-based pharmacophore modeling.
Journal of chemical information and modeling 2006;46(6):2684-91.
2006: Shiyong Liu; Qingliang Li; Luhua Lai
A combinatorial score to distinguish biological and nonbiological protein-protein interfaces.
Proteins 2006;64(1):68-78.
2006: Xue Kang; Yunfei Hu; You Li; Xianrong Guo; Xiaolu Jiang; Luhua Lai; Bin Xia; Changwen Jin
Structural, biochemical, and dynamic characterizations of the hRPB8 subunit of human RNA polymerases.
The Journal of biological chemistry 2006;281(26):18216-26.
2006: Lu Zhou; Ying Liu; Weilin Zhang; Ping Wei; Changkang Huang; Jianfeng Pei; Yaxia Yuan; Luhua Lai
Isatin compounds as noncovalent SARS coronavirus 3C-like protease inhibitors.
Journal of medicinal chemistry 2006;49(12):3440-3.
2006: Yinghua Guan; Zheng Wang; Aoneng Cao; Luhua Lai; Xin Sheng Zhao
Subunit exchange of MjHsp16.5 studied by single-molecule imaging and fluorescence resonance energy transfer.
Journal of the American Chemical Society 2006;128(22):7203-8.
2006: Hao Chen; Ping Wei; Changkang Huang; Lei Tan; Ying Liu; Luhua Lai
Only one protomer is active in the dimer of SARS 3C-like proteinase.
The Journal of biological chemistry 2006;281(20):13894-8.
2006: Changkang Huang; Lu Zhou; Ying Liu; Luhua Lai
A continuous fluorescence assay for phospholipase A2 with nontagged lipid.
Analytical biochemistry 2006;351(1):11-7.
2006: Jianfeng Pei; Qi Wang; Zhenming Liu; Qingliang Li; Kun Yang; Luhua Lai
PSI-DOCK: towards highly efficient and accurate flexible ligand docking.
Proteins 2006;62(4):934-46.
2006: Ping Wei; Keqiang Fan; Hao Chen; Liang Ma; Changkang Huang; Lei Tan; Dong Xi; Chunmei Li; Ying Liu; Aoneng Cao; Luhua Lai
The N-terminal octapeptide acts as a dimerization inhibitor of SARS coronavirus 3C-like proteinase.
Biochemical and biophysical research communications 2006;339(3):865-72.
2006: Wenzhe Ma; Luhua Lai; Qi Ouyang; Chao Tang
Robustness and modular design of the Drosophila segment polarity network.
Molecular systems biology 2006;2():70.
2006: Luhua Lai; Xiaofeng Han; Hao Chen; Ping Wei; Changkang Huang; Shiyong Liu; Keqiang Fan; Lu Zhou; Zhenming Liu; Jianfeng Pei; Ying Liu
Quaternary structure, substrate selectivity and inhibitor design for SARS 3C-like proteinase.
Current pharmaceutical design 2006;12(35):4555-64.
2005: Jianfeng Pei; Hao Chen; Zhenming Liu; Xiaofeng Han; Qi Wang; Bin Shen; Jiaju Zhou; Luhua Lai
Improving the quality of 3D-QSAR by using flexible-ligand receptor models.
Journal of chemical information and modeling 2005;45(6):1920-33.
2005: Li Ding; Xin-Xiang Zhang; Ping Wei; Keqiang Fan; Luhua Lai
The interaction between severe acute respiratory syndrome coronavirus 3C-like proteinase and a dimeric inhibitor by capillary electrophoresis.
Analytical biochemistry 2005;343(1):159-65.
2005: Wenzhe Ma; Chao Tang; Luhua Lai
Specificity of trypsin and chymotrypsin: loop-motion-controlled dynamic correlation as a determinant.
Biophysical journal 2005;89(2):1183-93.
2005: Keqiang Fan; Liang Ma; Xiaofeng Han; Huanhuan Liang; Ping Wei; Ying Liu; Luhua Lai
The substrate specificity of SARS coronavirus 3C-like proteinase.
Biochemical and biophysical research communications 2005;329(3):934-40.
2005: Sen Liu; Guangteng Wu; Qichen Huang; Luhua Lai; Youqi Tang; Hideaki Unno; Masami Kusunoki
Expression, purification, crystallization and preliminary crystallographic study of a potential metal-dependent hydrolase with cyclase activity from Thermoanaerobacter tengcongensis.
Acta crystallographica. Section F, Structural biology and crystallization communications 2005;61(Pt 1):90-2.
2005: Zhenming Liu; Changkang Huang; Keqiang Fan; Ping Wei; Hao Chen; Shiyong Liu; Jianfeng Pei; Lei Shi; Bo Li; Kun Yang; Ying Liu; Luhua Lai
Virtual screening of novel noncovalent inhibitors for SARS-CoV 3C-like proteinase.
Journal of chemical information and modeling 2005;45(1):10-17.
2004: Jianfeng Pei; Qi Wang; Jiaju Zhou; Luhua Lai
Estimating protein-ligand binding free energy: atomic solvation parameters for partition coefficient and solvation free energy calculation.
Proteins 2004;57(4):651-64.
2004: Kehu Yuan; Ling Yi; Jian Chen; Xiuxia Qu; Tingting Qing; Xi Rao; Pengfei Jiang; Jianhe Hu; Zikai Xiong; Yuchun Nie; Xuanling Shi; Wei Wang; Chen Ling; Xiaolei Yin; Keqiang Fan; Luhua Lai; Mingxiao Ding; Hongkui Deng
Suppression of SARS-CoV entry by peptides corresponding to heptad regions on spike glycoprotein.
Biochemical and biophysical research communications 2004;319(3):746-52.
2004: Changkang Huang; Ping Wei; Keqiang Fan; Ying Liu; Luhua Lai
3C-like proteinase from SARS coronavirus catalyzes substrate hydrolysis by a general base mechanism.
Biochemistry 2004;43(15):4568-74.
2004: Aoneng Cao; Daoying Hu; Luhua Lai
Formation of amyloid fibrils from fully reduced hen egg white lysozyme.
Protein science : a publication of the Protein Society 2004;13(2):319-24.
2004: Ying Gao; Renxiao Wang; Luhua Lai
Structure-based method for analyzing protein-protein interfaces.
Journal of molecular modeling 2004;10(1):44-54.
2004: Keqiang Fan; Ping Wei; Qian Feng; Sidi Chen; Changkang Huang; Liang Ma; Bing Lai; Jianfeng Pei; Ying Liu; Jianguo Chen; Luhua Lai
Biosynthesis, purification, and substrate specificity of severe acute respiratory syndrome coronavirus 3C-like proteinase.
The Journal of biological chemistry 2004;279(3):1637-42.
2003: Shiyong Liu; Jianfeng Pei; Hao Chen; Xiaolei Zhu; Zhenming Liu; Wenzhe Ma; Fenglei He; Luhua Lai
[Modeling of the SARS coronavirus main proteinase and conformational flexibility of the active site].
Beijing da xue xue bao. Yi xue ban = Journal of Peking University. Health sciences 2003;35 Suppl():62-5.
2003: Xu Wang; Wei Cao; Aoneng Cao; Luhua Lai
Thermodynamic characterization of the folding coupled DNA binding by the monomeric transcription activator GCN4 peptide.
Biophysical journal 2003;84(3):1867-75.
2003: Bing Lai; Ying Li; Aoneng Cao; Luhua Lai
Metal ion binding and enzymatic mechanism of Methanococcus jannaschii RNase HII.
Biochemistry 2003;42(3):785-91.
2002: Lin Jiang; Luhua Lai
CH...O hydrogen bonds at protein-protein interfaces.
The Journal of biological chemistry 2002;277(40):37732-40.
2002: Lifeng Cai; Aoneng Cao; Luhua Lai
Monitoring the kinetics and thermodynamics of interfacial enzymatic catalysis by differential scanning calorimetry.
Biochemical and biophysical research communications 2002;297(3):446-51.
2002: Aoneng Cao; Gang Wang; Youqi Tang; Luhua Lai
Linear correlation between thermal stability and folding kinetics of lysozyme.
Biochemical and biophysical research communications 2002;291(4):795-7.
2002: Lin Jiang; Ying Gao; Fenglou Mao; Zhijie Liu; Luhua Lai
Potential of mean force for protein-protein interaction studies.
Proteins 2002;46(2):190-6.
2001: L Cai; A Cao; Luhua Lai
An isothermal titration calorimetric method to determine the kinetic parameters of enzyme catalytic reaction by employing the product inhibition as probe.
Analytical biochemistry 2001;299(1):19-23.
2001: Zhijie Liu; W Li; H Zhang; Y Han; Luhua Lai
Modeling the third loop of short-chain snake venom neurotoxins: roles of the short-range and long-range interactions.
Proteins 2001;42(1):6-16.
2000: B Lai; Aoneng Cao; Luhua Lai
Organic cosolvents and hen egg white lysozyme folding.
Biochimica et biophysica acta 2000;1543(1):115-22.
1999: W Cao; Luhua Lai
A thermodynamic study on the formation and stability of DNA duplex at transcription site for DNA binding proteins GCN4.
Biophysical chemistry 1999;80(3):217-26.