OnionNet: a Multiple-Layer Intermolecular-Contact-Based Convolutional Neural Network for Protein–Ligand Binding Affinity Prediction von Zheng, Liangzhen, Fan, Jingrong, Mu, Yuguang

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Comprehensive Analysis of ERK1/2 Substrates for Potential Combination Immunotherapies von Yang, Lei, Zheng, Liangzhen, Chng, Wee Joo, Ding, Jeak Ling

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Exploring Flexibility of Progesterone Receptor Ligand Binding Domain Using Molecular Dynamics von Zheng, Liangzhen, Lin, Valerie Chunling, Mu, Yuguang

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OnionNet-2: A Convolutional Neural Network Model for Predicting Protein-Ligand Binding Affinity Based on Residue-Atom Contacting Shells von Wang, Zechen, Zheng, Liangzhen, Liu, Yang, Qu, Yuanyuan, Li, Yong-Qiang, Zhao, Mingwen, Mu, Yuguang, Li, Weifeng

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Boosting the predictive performance with aqueous solubility dataset curation von Meng, Jintao, Chen, Peng, Wahib, Mohamed, Yang, Mingjun, Zheng, Liangzhen, Wei, Yanjie, Feng, Shengzhong, Liu, Wei

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The claim of primacy of human gut Bacteroides ovatus in dietary cellobiose degradation von Li, Meixia, Wang, Yeqing, Guo, Ciliang, Wang, Sheng, Zheng, Liangzhen, Bu, Yifan, Ding, Kan

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Amino acid insertion in Bat MHC-I enhances complex stability and augments peptide presentation von Wang, Suqiu, Zheng, Liangzhen, Wei, Xiaohui, Qu, Zehui, Du, Liubao, Wang, Sheng, Zhang, Nianzhi

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Fimbrin phosphorylation by metaphase Cdk1 regulates actin cable dynamics in budding yeast von Miao, Yansong, Han, Xuemei, Zheng, Liangzhen, Xie, Ying, Mu, Yuguang, Yates, John R., Drubin, David G.

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Ligand Binding Induces Agonistic-Like Conformational Adaptations in Helix 12 of Progesterone Receptor Ligand Binding Domain von Zheng, Liangzhen, Xia, Kelin, Mu, Yuguang

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Structure prediction of the entire proteome of monkeypox variants von Zheng, Liangzhen, Meng, Jintao, Lin, Mingzhi, Lv, Rui, Cheng, Hongxi, Zou, Lixin, Sun, Jinyuan, Li, Linxian, Ren, Ruobing, Wang, Sheng

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Advancing ecotoxicity assessment: Leveraging pre-trained model for bee toxicity and compound degradability prediction von Li, Xinkang, Zhang, Feng, Zheng, Liangzhen, Guo, Jingjing

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Dynamics changes of CRISPR-Cas9 systems induced by high fidelity mutations von Zheng, Liangzhen, Shi, Jiahai, Mu, Yuguang

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When homologous sequences meet structural decoys: Accurate contact prediction by tFold in CASP14—(tFold for CASP14 contact prediction) von Shen, Tao, Wu, Jiaxiang, Lan, Haidong, Zheng, Liangzhen, Pei, Jianguo, Wang, Sheng, Liu, Wei, Huang, Junzhou

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Phospho‐regulation of intrinsically disordered proteins for actin assembly and endocytosis von Miao, Yansong, Tipakornsaowapak, Teepiyanut, Zheng, Liangzhen, Mu, Yuguang, Lewellyn, Eric

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Structure and Interactions of A Host Defense Antimicrobial Peptide Thanatin in Lipopolysaccharide Micelles Reveal Mechanism of Bacterial Cell Agglutination von Sinha, Sheetal, Zheng, Liangzhen, Mu, Yuguang, Ng, Wun Jern, Bhattacharjya, Surajit

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Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term von Zheng, Liangzhen, Meng, Jintao, Jiang, Kai, Lan, Haidong, Wang, Zechen, Lin, Mingzhi, Li, Weifeng, Guo, Hongwei, Wei, Yanjie, Mu, Yuguang

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Benchmarking reverse docking through AlphaFold2 human proteome von Luo, Qing, Wang, Sheng, Li, Hoi Yeung, Zheng, Liangzhen, Mu, Yuguang, Guo, Jingjing

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Dynamics changes of CRISPR-Cas9 systems induced by high fidelity mutationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp04226h von Zheng, Liangzhen, Shi, Jiahai, Mu, Yuguang

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OpenDock: a pytorch-based open-source framework for protein–ligand docking and modelling von Hu, Qiuyue, Wang, Zechen, Meng, Jintao, Li, Weifeng, Guo, Jingjing, Mu, Yuguang, Wang, Sheng, Zheng, Liangzhen, Wei, Yanjie

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A new paradigm for applying deep learning to protein–ligand interaction prediction von Wang, Zechen, Wang, Sheng, Li, Yangyang, Guo, Jingjing, Wei, Yanjie, Mu, Yuguang, Zheng, Liangzhen, Li, Weifeng

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