Luhua Lai
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Further development and validation of empirical scoring functions for structure-based binding affinity prediction
R Wang, L Lai, S Wang
Journal of computer-aided molecular design 16, 11-26, 2002
PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database
X Wang, Y Shen, S Wang, S Li, W Zhang, X Liu, L Lai, J Pei, H Li
Nucleic acids research 45 (W1), W356-W360, 2017
Computation of octanol− water partition coefficients by guiding an additive model with knowledge
T Cheng, Y Zhao, X Li, F Lin, Y Xu, X Zhang, Y Li, R Wang, L Lai
Journal of chemical information and modeling 47 (6), 2140-2148, 2007
A new atom-additive method for calculating partition coefficients
R Wang, Y Fu, L Lai
Journal of chemical information and computer sciences 37 (3), 615-621, 1997
LigBuilder: a multi-purpose program for structure-based drug design
R Wang, Y Gao, L Lai
Molecular modeling annual 6, 498-516, 2000
SCORE: A new empirical method for estimating the binding affinity of a protein-ligand complex
R Wang, L Liu, L Lai, Y Tang
Molecular modeling annual 4, 379-394, 1998
Sequence-based prediction of protein protein interaction using a deep-learning algorithm
T Sun, B Zhou, L Lai, J Pei
BMC bioinformatics 18, 1-8, 2017
Biosynthesis, purification, and substrate specificity of severe acute respiratory syndrome coronavirus 3C-like proteinase
K Fan, P Wei, Q Feng, S Chen, C Huang, L Ma, B Lai, J Pei, Y Liu, J Chen, ...
Journal of Biological Chemistry 279 (3), 1637-1642, 2004
Synthesis, fungicidal activity, and 3D-QSAR of pyridazinone-substituted 1, 3, 4-oxadiazoles and 1, 3, 4-thiadiazoles
XJ Zou, LH Lai, GY Jin, ZX Zhang
Journal of agricultural and food chemistry 50 (13), 3757-3760, 2002
Arabidopsis pollen tube integrity and sperm release are regulated by RALF-mediated signaling
Z Ge, T Bergonci, Y Zhao, Y Zou, S Du, MC Liu, X Luo, H Ruan, ...
Science 358 (6370), 1596-1600, 2017
Deep learning for drug-induced liver injury
Y Xu, Z Dai, F Chen, S Gao, J Pei, L Lai
Journal of chemical information and modeling 55 (10), 2085-2093, 2015
Scutellaria baicalensis extract and baicalein inhibit replication of SARS-CoV-2 and its 3C-like protease in vitro
H Liu, F Ye, Q Sun, H Liang, C Li, S Li, R Lu, B Huang, W Tan, L Lai
Journal of enzyme inhibition and medicinal chemistry 36 (1), 497-503, 2021
A protein engineered to bind uranyl selectively and with femtomolar affinity
L Zhou, M Bosscher, C Zhang, S Özçubukçu, L Zhang, W Zhang, CJ Li, ...
Nature chemistry 6 (3), 236-241, 2014
CH··· O Hydrogen Bonds at Protein-Protein Interfaces* 210
L Jiang, L Lai
Journal of Biological Chemistry 277 (40), 37732-37740, 2002
Calculating partition coefficient by atom-additive method
R Wang, Y Gao, L Lai
Perspectives in Drug Discovery and Design 19, 47-66, 2000
CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction
Y Xu, S Wang, Q Hu, S Gao, X Ma, W Zhang, Y Shen, F Chen, L Lai, J Pei
Nucleic acids research 46 (W1), W374-W379, 2018
Transfer learning for drug discovery
C Cai, S Wang, Y Xu, W Zhang, K Tang, Q Ouyang, L Lai, J Pei
Journal of Medicinal Chemistry 63 (16), 8683-8694, 2020
Formation of amyloid fibrils from fully reduced hen egg white lysozyme
A Cao, D Hu, L Lai
Protein Science 13 (2), 319-324, 2004
3C-like proteinase from SARS coronavirus catalyzes substrate hydrolysis by a general base mechanism
C Huang, P Wei, K Fan, Y Liu, L Lai
Biochemistry 43 (15), 4568-4574, 2004
Deep learning based regression and multiclass models for acute oral toxicity prediction with automatic chemical feature extraction
Y Xu, J Pei, L Lai
Journal of chemical information and modeling 57 (11), 2672-2685, 2017
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