Luhua Lai

Publication Activity (10 Years)

Years Active: 1996-2024
Publications (10 Years): 24

Top Topics

Machine Learning

Protein Protein

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Junren Li, Kangjie Lin, Jianfeng Pei, Luhua Lai
Challenging Complexity with Simplicity: Rethinking the Role of Single-Step Models in Computer-Aided Synthesis Planning. J. Chem. Inf. Model. 64 (14) (2024)
Qiaojing Huang, Luhua Lai, Zhirong Liu
Quantitative Analysis of Dynamic Allostery. J. Chem. Inf. Model. 62 (10) (2022)
Youjun Xu, Jinchuan Xiao, Chia-Han Chou, Jianhang Zhang, Jintao Zhu, Qiwan Hu, Hemin Li, Ningsheng Han, Bingyu Liu, Shuaipeng Zhang, Jinyu Han, Zhen Zhang, Shuhao Zhang, Weilin Zhang, Luhua Lai, Jianfeng Pei
MolMiner: You Only Look Once for Chemical Structure Recognition. J. Chem. Inf. Model. 62 (22) (2022)
Xiaoquan Chu, Tanlin Sun, Qian Li, Youjun Xu, Zhuqing Zhang, Luhua Lai, Jianfeng Pei
Prediction of liquid-liquid phase separating proteins using machine learning. BMC Bioinform. 23 (1) (2022)
Juan Xie, Shiwei Wang, Youjun Xu, Minghua Deng, Luhua Lai
Uncovering the Dominant Motion Modes of Allosteric Regulation Improves Allosteric Site Prediction. J. Chem. Inf. Model. 62 (1) (2022)
Youjun Xu, Jinchuan Xiao, Chia-Han Chou, Jianhang Zhang, Jintao Zhu, Qiwan Hu, Hemin Li, Ningsheng Han, Bingyu Liu, Shuaipeng Zhang, Jinyu Han, Zhen Zhang, Shuhao Zhang, Weilin Zhang, Luhua Lai, Jianfeng Pei
MolMiner: You only look once for chemical structure recognition. CoRR (2022)
Weixin Xie, Fanhao Wang, Yibo Li, Luhua Lai, Jianfeng Pei
Advances and Challenges in De Novo Drug Design Using Three-Dimensional Deep Generative Models. J. Chem. Inf. Model. 62 (10) (2022)
Yuxia Mao, Shiliang Li, Bojie Gong, Luhua Lai, Gaoqi He, Honglin Li
ePharmer: An integrated and graphical software for pharmacophore-based virtual screening. J. Comput. Chem. 42 (30) (2021)
Shiwei Wang, Qi Sun, Youjun Xu, Jianfeng Pei, Luhua Lai
A transferable deep learning approach to fast screen potential antiviral drugs against SARS-CoV-2. Briefings Bioinform. 22 (6) (2021)
Yuxia Mao, Shiliang Li, Bojie Gong, Luhua Lai, Gaoqi He, Honglin Li
Cover Image. J. Comput. Chem. 42 (30) (2021)
Yibo Li, Jianfeng Pei, Luhua Lai
Learning to design drug-like molecules in three-dimensional space using deep generative models. CoRR (2021)
Hao Liang, Hongbo Liu, Yi Kuang, Limin Chen, Min Ye, Luhua Lai
Discovery of Targeted Covalent Natural Products against PLK1 by Herb-Based Screening. J. Chem. Inf. Model. 60 (9) (2020)
Youjun Xu, Shiwei Wang, Qiwan Hu, Shuaishi Gao, Xiaomin Ma, Weilin Zhang, Yihang Shen, Fangjin Chen, Luhua Lai, Jianfeng Pei
CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction. Nucleic Acids Res. 46 (Webserver-Issue) (2018)
Tanlin Sun, Luhua Lai, Jianfeng Pei
Analysis of protein features and machine learning algorithms for prediction of druggable proteins. Quant. Biol. 6 (4) (2018)
Yuan-Ho Chen, Chung-Yi Li, Luhua Lai
Fine-Tuning Accuracy Using Conditional Probability of the Bottom Sign-Bit in Fixed-Width Modified Booth Multiplier. Circuits Syst. Signal Process. 37 (7) (2018)
Xia Wang, Yihang Shen, Shiwei Wang, Shiliang Li, Weilin Zhang, Xiaofeng Liu, Luhua Lai, Jianfeng Pei, Honglin Li
PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database. Nucleic Acids Res. 45 (Webserver-Issue) (2017)
Youjun Xu, Jianfeng Pei, Luhua Lai
Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction. J. Chem. Inf. Model. 57 (11) (2017)
Tanlin Sun, Bo Zhou, Luhua Lai, Jianfeng Pei
Sequence-based prediction of protein protein interaction using a deep-learning algorithm. BMC Bioinform. 18 (1) (2017)
Weilin Zhang, Jianfeng Pei, Luhua Lai
Statistical Analysis and Prediction of Covalent Ligand Targeted Cysteine Residues. J. Chem. Inf. Model. 57 (6) (2017)
Weilin Zhang, Jianfeng Pei, Luhua Lai
Computational Multitarget Drug Design. J. Chem. Inf. Model. 57 (3) (2017)
Youjun Xu, Jianfeng Pei, Luhua Lai
Molecular Graph Encoding Convolutional Neural Networks for Automatic Chemical Feature Extraction. CoRR (2017)
Xiaomin Ma, Hu Meng, Luhua Lai
Motions of Allosteric and Orthosteric Ligand-Binding Sites in Proteins are Highly Correlated. J. Chem. Inf. Model. 56 (9) (2016)
Youjun Xu, Ziwei Dai, Fangjin Chen, Shuaishi Gao, Jianfeng Pei, Luhua Lai
Deep Learning for Drug-Induced Liver Injury. J. Chem. Inf. Model. 55 (10) (2015)
Jing Yuan, Luhua Lai, Chao Tang
The Center for Quantitative Biology at Peking University. Quant. Biol. 3 (1) (2015)
Xia Wang, Haipeng Chen, Feng Yang, Jiayu Gong, Shiliang Li, Jianfeng Pei, Xiaofeng Liu, Hualiang Jiang, Luhua Lai, Honglin Li
iDrug: a web-accessible and interactive drug discovery and design platform. J. Cheminformatics 6 (1) (2014)
Erchang Shang, Yaxia Yuan, Xinyi Chen, Ying Liu, Jianfeng Pei, Luhua Lai
Design of Multitarget Ligands with an Iterative Fragment-Growing Strategy. J. Chem. Inf. Model. 54 (4) (2014)
Fan Jin, Chen Yu, Luhua Lai, Zhirong Liu
Ligand Clouds around Protein Clouds: A Scenario of Ligand Binding with Intrinsically Disordered Proteins. PLoS Comput. Biol. 9 (10) (2013)
Changsheng Zhang, Luhua Lai
SDOCK: A global protein-protein docking program using stepwise force-field potentials. J. Comput. Chem. 32 (12) (2011)
Shan He, Luhua Lai
Molecular Docking and Competitive Binding Study Discovered Different Binding Modes of Microsomal Prostaglandin E Synthase-1 Inhibitors. J. Chem. Inf. Model. 51 (12) (2011)
Zhenming Liu, Bo Li, Xia Li, Liang Ren Zhang, Luhua Lai
Identification of Small-Molecule Inhibitors against Human Leukocyte Antigen-Death Receptor 4 (HLA-DR4) Through a Comprehensive Strategy. J. Chem. Inf. Model. 51 (2) (2011)
Zhenming Liu, Bo Li, Xia Li, Liang Ren Zhang, Luhua Lai
Correction to Identification of Small-Molecule Inhibitors against Human Leukocyte Antigen-Death Receptor 4 (HLA-DR4) Through a Comprehensive Strategy. J. Chem. Inf. Model. 51 (7) (2011)
Yaxia Yuan, Jianfeng Pei, Luhua Lai
Drug Design Approach. J. Chem. Inf. Model. 51 (5) (2011)
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. J. Chem. Inf. Model. 50 (10) (2010)
Xiaolei Zhu, Luhua Lai
A novel method for enzyme design. J. Comput. Chem. 30 (2) (2009)
Qingliang Li, Andreas Bender, Jianfeng Pei, Luhua Lai
A Large Descriptor Set and a Probabilistic Kernel-Based Classifier Significantly Improve Druglikeness Classification. J. Chem. Inf. Model. 47 (5) (2007)
Zhuqing Zhang, Hao Chen, Luhua Lai
Identification of amyloid fibril-forming segments based on structure and residue-based statistical potential. Bioinform. 23 (17) (2007)
Kun Yang, Wenzhe Ma, Huanhuan Liang, Qi Ouyang, Chao Tang, Luhua Lai
Dynamic Simulations on the Arachidonic Acid Metabolic Network. PLoS Comput. Biol. 3 (3) (2007)
Tiejun Cheng, Yuan Zhao, Xun Li, Fu Lin, Yong Xu, Xing-long Zhang, Yan Li, Renxiao Wang, Luhua Lai
Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge. J. Chem. Inf. Model. 47 (6) (2007)
Qingliang Li, Luhua Lai
Prediction of potential drug targets based on simple sequence properties. BMC Bioinform. 8 (2007)
Jing Chen, Luhua Lai
Pocket v.2: Further Developments on Receptor-Based Pharmacophore Modeling. J. Chem. Inf. Model. 46 (6) (2006)
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. J. Chem. Inf. Model. 45 (6) (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. J. Chem. Inf. Model. 45 (1) (2005)
Renxiao Wang, Luhua Lai, Shaomeng Wang
Further development and validation of empirical scoring functions for structure-based binding affinity prediction. J. Comput. Aided Mol. Des. 16 (1) (2002)
Peng Tao, Luhua Lai
Protein ligand docking based on empirical method for binding affinity estimation. J. Comput. Aided Mol. Des. 15 (5) (2001)
Jiansuo Wang, Luhua Lai, Youqi Tang
Structural Features of Toxic Chemicals for Specific Toxicity. J. Chem. Inf. Comput. Sci. 39 (6) (1999)
Renxiao Wang, Ying Fu, Luhua Lai
A New Atom-Additive Method for Calculating Partition Coefficients. J. Chem. Inf. Comput. Sci. 37 (3) (1997)
Zhaowen Luo, Renxiao Wang, Luhua Lai
RASSE: A New Method for Structure-Based Drug Design. J. Chem. Inf. Comput. Sci. 36 (6) (1996)