Luhua Lai - RankMe

51 papers Journal 51

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Benchmarking Cofolding Methods for Molecular Glue Ternary Structure Prediction. J. Chem. Inf. Model. Yiyan Liao, Jintao Zhu, Juan Xie, Luhua Lai, Jianfeng Pei
2025	J	`jnl`	SynCraft: Guiding Large Language Models to Predict Edit Sequences for Molecular Synthesizability Optimization. CoRR Junren Li, Luhua Lai
2025	J	`jnl`	Targeting SARS-CoV-2 Receptor Binding Domain and Main Protease with D-Peptides. J. Chem. Inf. Model. Laiyi Feng, Jingjia Liu, Chunmei Li, Qian Wang, Luhua Lai, Changsheng Zhang
2024	J	`jnl`	Challenging Complexity with Simplicity: Rethinking the Role of Single-Step Models in Computer-Aided Synthesis Planning. J. Chem. Inf. Model. Junren Li, Kangjie Lin, Jianfeng Pei, Luhua Lai
2024	J	`jnl`	Target-Specific J. Chem. Inf. Model. Fanhao Wang, Yuzhe Wang, Laiyi Feng, Changsheng Zhang, Luhua Lai
2023	J	`jnl`	Hierarchical graph transformer with contrastive learning for protein function prediction. Bioinform. Zhonghui Gu, Xiao Luo, Jiaxiao Chen, Minghua Deng, Luhua Lai
2022	J	`jnl`	Advances and Challenges in De Novo Drug Design Using Three-Dimensional Deep Generative Models. J. Chem. Inf. Model. Weixin Xie, Fanhao Wang, Yibo Li, Luhua Lai, Jianfeng Pei
2022	J	`jnl`	MolMiner: You Only Look Once for Chemical Structure Recognition. J. Chem. Inf. Model. 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
2022	J	`jnl`	MolMiner: You only look once for chemical structure recognition. CoRR 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
2022	J	`jnl`	Prediction of liquid-liquid phase separating proteins using machine learning. BMC Bioinform. Xiaoquan Chu, Tanlin Sun, Qian Li, Youjun Xu, Zhuqing Zhang, Luhua Lai, Jianfeng Pei
2022	J	`jnl`	Quantitative Analysis of Dynamic Allostery. J. Chem. Inf. Model. Qiaojing Huang, Luhua Lai, Zhirong Liu
2022	J	`jnl`	Uncovering the Dominant Motion Modes of Allosteric Regulation Improves Allosteric Site Prediction. J. Chem. Inf. Model. Juan Xie, Shiwei Wang, Youjun Xu, Minghua Deng, Luhua Lai
2021	J	`jnl`	A transferable deep learning approach to fast screen potential antiviral drugs against SARS-CoV-2. Briefings Bioinform. Shiwei Wang, Qi Sun, Youjun Xu, Jianfeng Pei, Luhua Lai
2021	J	`jnl`	Cover Image. J. Comput. Chem. Yuxia Mao, Shiliang Li, Bojie Gong, Luhua Lai, Gaoqi He, Honglin Li
2021	J	`jnl`	Learning to design drug-like molecules in three-dimensional space using deep generative models. CoRR Yibo Li, Jianfeng Pei, Luhua Lai
2021	J	`jnl`	ePharmer: An integrated and graphical software for pharmacophore-based virtual screening. J. Comput. Chem. Yuxia Mao, Shiliang Li, Bojie Gong, Luhua Lai, Gaoqi He, Honglin Li
2020	J	`jnl`	Discovery of Targeted Covalent Natural Products against PLK1 by Herb-Based Screening. J. Chem. Inf. Model. Hao Liang, Hongbo Liu, Yi Kuang, Limin Chen, Min Ye, Luhua Lai
2018	J	`jnl`	Analysis of protein features and machine learning algorithms for prediction of druggable proteins. Quant. Biol. Tanlin Sun, Luhua Lai, Jianfeng Pei
2018	J	`jnl`	CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction. Nucleic Acids Res. Youjun Xu, Shiwei Wang, Qiwan Hu, Shuaishi Gao, Xiaomin Ma, Weilin Zhang, Yihang Shen, Fangjin Chen, Luhua Lai, Jianfeng Pei
2018	J	`jnl`	Fine-Tuning Accuracy Using Conditional Probability of the Bottom Sign-Bit in Fixed-Width Modified Booth Multiplier. Circuits Syst. Signal Process. Yuan-Ho Chen, Chung-Yi Li, Luhua Lai
2017	J	`jnl`	Computational Multitarget Drug Design. J. Chem. Inf. Model. Weilin Zhang, Jianfeng Pei, Luhua Lai
2017	J	`jnl`	Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction. J. Chem. Inf. Model. Youjun Xu, Jianfeng Pei, Luhua Lai
2017	J	`jnl`	Molecular Graph Encoding Convolutional Neural Networks for Automatic Chemical Feature Extraction. CoRR Youjun Xu, Jianfeng Pei, Luhua Lai
2017	J	`jnl`	PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database. Nucleic Acids Res. Xia Wang, Yihang Shen, Shiwei Wang, Shiliang Li, Weilin Zhang, Xiaofeng Liu, Luhua Lai, Jianfeng Pei, Honglin Li
2017	J	`jnl`	Sequence-based prediction of protein protein interaction using a deep-learning algorithm. BMC Bioinform. Tanlin Sun, Bo Zhou, Luhua Lai, Jianfeng Pei
2017	J	`jnl`	Statistical Analysis and Prediction of Covalent Ligand Targeted Cysteine Residues. J. Chem. Inf. Model. Weilin Zhang, Jianfeng Pei, Luhua Lai
2016	J	`jnl`	Motions of Allosteric and Orthosteric Ligand-Binding Sites in Proteins are Highly Correlated. J. Chem. Inf. Model. Xiaomin Ma, Hu Meng, Luhua Lai
2015	J	`jnl`	Deep Learning for Drug-Induced Liver Injury. J. Chem. Inf. Model. Youjun Xu, Ziwei Dai, Fangjin Chen, Shuaishi Gao, Jianfeng Pei, Luhua Lai
2015	J	`jnl`	The Center for Quantitative Biology at Peking University. Quant. Biol. Jing Yuan, Luhua Lai, Chao Tang
2014	J	`jnl`	iDrug: a web-accessible and interactive drug discovery and design platform. J. Cheminformatics Xia Wang, Haipeng Chen, Feng Yang, Jiayu Gong, Shiliang Li, Jianfeng Pei, Xiaofeng Liu, Hualiang Jiang, Luhua Lai, Honglin Li
2013	J	`jnl`	Ligand Clouds around Protein Clouds: A Scenario of Ligand Binding with Intrinsically Disordered Proteins. PLoS Comput. Biol. Fan Jin, Chen Yu, Luhua Lai, Zhirong Liu
2011	J	`jnl`	Correction to Identification of Small-Molecule Inhibitors against Human Leukocyte Antigen-Death Receptor 4 (HLA-DR4) Through a Comprehensive Strategy. J. Chem. Inf. Model. Zhenming Liu, Bo Li, Xia Li, Liang Ren Zhang, Luhua Lai
2011	J	`jnl`	Identification of Small-Molecule Inhibitors against Human Leukocyte Antigen-Death Receptor 4 (HLA-DR4) Through a Comprehensive Strategy. J. Chem. Inf. Model. Zhenming Liu, Bo Li, Xia Li, Liang Ren Zhang, Luhua Lai
2011	J	`jnl`	LigBuilder 2: A Practical J. Chem. Inf. Model. Yaxia Yuan, Jianfeng Pei, Luhua Lai
2011	J	`jnl`	Molecular Docking and Competitive Binding Study Discovered Different Binding Modes of Microsomal Prostaglandin E Synthase-1 Inhibitors. J. Chem. Inf. Model. Shan He, Luhua Lai
2011	J	`jnl`	SDOCK: A global protein-protein docking program using stepwise force-field potentials. J. Comput. Chem. Changsheng Zhang, Luhua Lai
2010	J	`jnl`	Binding Energy Landscape Analysis Helps to Discriminate True Hits from High-Scoring Decoys in Virtual Screening. J. Chem. Inf. Model. Dengguo Wei, Hao Zheng, Naifang Su, Minghua Deng, Luhua Lai
2009	J	`jnl`	A novel method for enzyme design. J. Comput. Chem. Xiaolei Zhu, Luhua Lai
2007	J	`jnl`	A Large Descriptor Set and a Probabilistic Kernel-Based Classifier Significantly Improve Druglikeness Classification. J. Chem. Inf. Model. Qingliang Li, Andreas Bender, Jianfeng Pei, Luhua Lai
2007	J	`jnl`	Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge. J. Chem. Inf. Model. Tiejun Cheng, Yuan Zhao, Xun Li, Fu Lin, Yong Xu, Xing-long Zhang, Yan Li, Renxiao Wang, Luhua Lai
2007	J	`jnl`	Dynamic Simulations on the Arachidonic Acid Metabolic Network. PLoS Comput. Biol. Kun Yang, Wenzhe Ma, Huanhuan Liang, Qi Ouyang, Chao Tang, Luhua Lai
2007	J	`jnl`	Identification of amyloid fibril-forming segments based on structure and residue-based statistical potential. Bioinform. Zhuqing Zhang, Hao Chen, Luhua Lai
2007	J	`jnl`	Prediction of potential drug targets based on simple sequence properties. BMC Bioinform. Qingliang Li, Luhua Lai
2006	J	`jnl`	Pocket v.2: Further Developments on Receptor-Based Pharmacophore Modeling. J. Chem. Inf. Model. Jing Chen, Luhua Lai
2005	J	`jnl`	Improving the Quality of 3D-QSAR by Using Flexible-Ligand Receptor Models. J. Chem. Inf. Model. Jianfeng Pei, Hao Chen, Zhenming Liu, Xiaofeng Han, Qi Wang, Bin Shen, Jiaju Zhou, Luhua Lai
2005	J	`jnl`	Virtual Screening of Novel Noncovalent Inhibitors for SARS-CoV 3C-like Proteinase. J. Chem. Inf. Model. Zhenming Liu, Changkang Huang, Keqiang Fan, Ping Wei, Hao Chen, Shiyong Liu, Jianfeng Pei, Lei Shi, Bo Li, Kun Yang, Ying Liu, Luhua Lai
2002	J	`jnl`	Further development and validation of empirical scoring functions for structure-based binding affinity prediction. J. Comput. Aided Mol. Des. Renxiao Wang, Luhua Lai, Shaomeng Wang
2001	J	`jnl`	Protein ligand docking based on empirical method for binding affinity estimation. J. Comput. Aided Mol. Des. Peng Tao, Luhua Lai
1999	J	`jnl`	Structural Features of Toxic Chemicals for Specific Toxicity. J. Chem. Inf. Comput. Sci. Jiansuo Wang, Luhua Lai, Youqi Tang
1997	J	`jnl`	A New Atom-Additive Method for Calculating Partition Coefficients. J. Chem. Inf. Comput. Sci. Renxiao Wang, Ying Fu, Luhua Lai
1996	J	`jnl`	RASSE: A New Method for Structure-Based Drug Design. J. Chem. Inf. Comput. Sci. Zhaowen Luo, Renxiao Wang, Luhua Lai