Lai, Luhua

Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction

Xu, Y., Pei, J., & Lai, L. (2017) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 250

Activation of Glutathione Peroxidase 4 as a Novel Anti-inflammatory Strategy

Li, C., Deng, X., Xie, X., Liu, Y., Friedmann Angeli, J. P., & Lai, L. (2018) · Frontiers in Pharmacology

Redox biology and oxidative stressSelenium in Biological Systems

Cited by 183

Rational design of selective allosteric inhibitors of PHGDH and serine synthesis with anti-tumor activity

Wang, Q., Liberti, M. V., Liu, P., Deng, X., Liu, Y., Locasale, J. W., & Lai, L. (2017) · Cell Chemical Biology

Cancer, Hypoxia, and MetabolismAmino Acid Enzymes and Metabolism

Cited by 147

Robustness and modular design of the Drosophila segment polarity network

Ma, W., Lai, L., Ouyang, Q., & Tang, C. (2006) · Molecular Systems Biology

Gene Regulatory Network AnalysisDevelopmental Biology and Gene Regulation

Cited by 142

Synergistic and Antagonistic Drug Combinations Depend on Network Topology

Yin, N., Ma, W., Pei, J., Ouyang, Q., Tang, C., & Lai, L. (2014) · PLoS ONE

Gene Regulatory Network AnalysisComputational Drug Discovery Methods

Cited by 139

Targeting intrinsically disordered proteins at the edge of chaos

Ruan, H., Sun, Q., Zhang, W., Liu, Y., & Lai, L. (2019) · Drug Discovery Today

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 133

Crystal structure of archaeal RNase HII: a homologue of human major RNase H

Lai, L., Yokota, H., Hung, L.-W., Kim, R., & Kim, S.-H. (2000) · Structure

Enzyme Structure and FunctionProtein Structure and Dynamics

Cited by 71

Origin of the Reflectin Gene and Hierarchical Assembly of Its Protein

Guan, Z., Cai, T., Liu, Z., Dou, Y., Hu, X., Zhang, P., Sun, X., Li, H., Kuang, Y., Zhai, Q., et al. (2017) · Current Biology

Photonic Crystals and ApplicationsCephalopods and Marine Biology

Cited by 52

CavitySpace: A database of potential ligand binding sites in the human proteome

Wang, S., Lin, H., Huang, Z., He, Y., Deng, X., Xu, Y., Pei, J., & Lai, L. (2022) · Biomolecules

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 39

CavitySpace: A Database of Potential Ligand Binding Sites in the Human Proteome

Wang, S., Lin, H., Huang, Z., He, Y., Deng, X., Xu, Y., Pei, J., & Lai, L. (2022) · Biomolecules

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 39

Binding energy landscape analysis helps to discriminate true hits from high-scoring decoys in virtual screening.

Wei, D., Zheng, H., Su, N., Deng, M., & Lai, L. (2010) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 22

All‐Atom Protein Sequence Design Based on Geometric Deep Learning

Liu, J., Guo, Z., You, H., Zhang, C., & Lai, L. (2024) · Angewandte Chemie International Edition

Protein Structure and DynamicsMachine Learning in Bioinformatics

Cited by 10