Search Results - "Peichen Pan"

Caffeine: Toward Uniformed Representation and Acceleration for Deep Convolutional Neural Networks by Zhang, Chen, Sun, Guangyu, Fang, Zhenman, Zhou, Peipei, Pan, Peichen, Cong, Jason

“…With the recent advancement of multilayer convolutional neural networks (CNNs) and fully connected networks (FCNs), deep learning has achieved amazing success…”
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Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking by Chen, Fu, Liu, Hui, Sun, Huiyong, Pan, Peichen, Li, Youyong, Li, Dan, Hou, Tingjun

“…Understanding protein-protein interactions (PPIs) is quite important to elucidate crucial biological processes and even design compounds that interfere with…”
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Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK) by Kong, Xiaotian, Pan, Peichen, Sun, Huiyong, Xia, Hongguang, Wang, Xuwen, Li, Youyong, Hou, Tingjun

“…As a receptor tyrosine kinase of insulin receptor (IR) subfamily, anaplastic lymphoma kinase (ALK) has been validated to play important roles in various…”
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Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring by Sun, Huiyong, Li, Youyong, Shen, Mingyun, Tian, Sheng, Xu, Lei, Pan, Peichen, Guan, Yan, Hou, Tingjun

“…With the rapid development of computational techniques and hardware, more rigorous and precise theoretical models have been used to predict the binding…”
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Caffeine: Towards uniformed representation and acceleration for deep convolutional neural networks by Chen Zhang, Zhenman Fang, Peipei Zhou, Peichen Pan, Jason Cong

“…With the recent advancement of multilayer convolutional neural networks (CNN), deep learning has achieved amazing success in many areas, especially in visual…”
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Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking by Wu, Zhenxing, Wang, Jike, Du, Hongyan, Jiang, Dejun, Kang, Yu, Li, Dan, Pan, Peichen, Deng, Yafeng, Cao, Dongsheng, Hsieh, Chang-Yu, Hou, Tingjun

“…Graph neural networks (GNNs) have been widely used in molecular property prediction, but explaining their black-box predictions is still a challenge. Most…”
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p16INK4A-deficiency predicts response to combined HER2 and CDK4/6 inhibition in HER2+ breast cancer brain metastases by Ni, Jing, Kabraji, Sheheryar, Xie, Shaozhen, Wang, Yanzhi, Pan, Peichen, He, Xiaofang, Liu, Zongming, Leone, Jose Palbo, Long, Henry W., Brown, Myles A., Winer, Eric P., Dillon, Deborah A. R., Lin, Nancy U., Zhao, Jean J.

“…Approximately 50% of patients with metastatic HER2-positive (HER2+) breast cancer develop brain metastases (BCBMs). We report that the tumor suppressor p16…”
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Improving orthotopic mouse models of patient-derived breast cancer brain metastases by a modified intracarotid injection method by Liu, Zongming, Wang, Yanzhi, Kabraji, Sheheryar, Xie, Shaozhen, Pan, Peichen, Liu, Zhenning, Ni, Jing, Zhao, Jean J.

“…Breast cancer brain metastasis (BCBM) remains a major clinical problem. Approximately 10–16% of patients with breast cancer develop brain metastases (BCBM)…”
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Gossypol inhibits cullin neddylation by targeting SAG-CUL5 and RBX1-CUL1 complexes by Yu, Qing, Hu, Zhiguo, Shen, Yanwen, Jiang, Yihan, Pan, Peichen, Hou, Tingjun, Pan, Zhen-Qiang, Huang, Jing, Sun, Yi

“…Cullin-RING E3 ligase (CRL) is the largest family of E3 ubiquitin ligase, responsible for ubiquitylation of ∼20% of cellular proteins. CRL plays an important…”
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Advances in the development of Rho-associated protein kinase (ROCK) inhibitors by Pan, Peichen, Shen, Mingyun, Yu, Huidong, Li, Youyong, Li, Dan, Hou, Tingjun

“…•The structures and therapeutic importance of ROCK are outlined.•The available inhibitors of ROCK are summarized.•The binding mechanisms of representative ROCK…”
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Development and Evaluation of an Integrated Virtual Screening Strategy by Combining Molecular Docking and Pharmacophore Searching Based on Multiple Protein Structures by Tian, Sheng, Sun, Huiyong, Li, Youyong, Pan, Peichen, Li, Dan, Hou, Tingjun

“…In this study, we developed and evaluated a novel parallel virtual screening strategy by integrating molecular docking and complex-based pharmacophore…”
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Farnesyltransferase and geranylgeranyltransferase I: structures, mechanism, inhibitors and molecular modeling by Shen, Mingyun, Pan, Peichen, Li, Youyong, Li, Dan, Yu, Huidong, Hou, Tingjun

“…•Structures and therapeutic importance of FTase and GGTase-1 are briefly outlined.•Available inhibitors of FTase and GGTase-1 are systematically…”
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A general model for predicting enzyme functions based on enzymatic reactions by Qian, Wenjia, Wang, Xiaorui, Kang, Yu, Pan, Peichen, Hou, Tingjun, Hsieh, Chang-Yu

“…Accurate prediction of the enzyme comission (EC) numbers for chemical reactions is essential for the understanding and manipulation of enzyme functions,…”
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Molecular Principle of Topotecan Resistance by Topoisomerase I Mutations through Molecular Modeling Approaches by Pan, Peichen, Li, Youyong, Yu, Huidong, Sun, Huiyong, Hou, Tingjun

“…Originally isolated from natural products, camptothecin (CPT) has provided extensive playing fields for the development of antitumor drugs. Two of the most…”
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TB-IECS: an accurate machine learning-based scoring function for virtual screening by Zhang, Xujun, Shen, Chao, Jiang, Dejun, Zhang, Jintu, Ye, Qing, Xu, Lei, Hou, Tingjun, Pan, Peichen, Kang, Yu

“…Machine learning-based scoring functions (MLSFs) have shown potential for improving virtual screening capabilities over classical scoring functions (SFs). Due…”
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Discovery of a small molecule inhibitor of cullin neddylation that triggers ER stress to induce autophagy by Li, Yanan, Wang, Chaorong, Xu, Tiantian, Pan, Peichen, Yu, Qing, Xu, Lei, Xiong, Xiufang, Hou, Tingjun, Cui, Sunliang, Sun, Yi

“…Protein neddylation is catalyzed by a three-enzyme cascade, namely an E1 NEDD8-activating enzyme (NAE), one of two E2 NEDD8 conjugation enzymes and one of…”
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How Does the L884P Mutation Confer Resistance to Type-II Inhibitors of JAK2 Kinase: A Comprehensive Molecular Modeling Study by Kong, Xiaotian, Sun, Huiyong, Pan, Peichen, Li, Dan, Zhu, Feng, Chang, Shan, Xu, Lei, Li, Youyong, Hou, Tingjun

“…Janus kinase 2 (JAK2) has been regarded as an essential target for the treatment of myeloproliferative neoplasms (MPNs). BBT594 and CHZ868, Type-II inhibitors…”
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A small molecule inhibitor of the UBE2F-CRL5 axis induces apoptosis and radiosensitization in lung cancer by Xu, Tiantian, Ma, Qisheng, Li, Yanan, Yu, Qing, Pan, Peichen, Zheng, Yawen, Li, Zhijian, Xiong, Xiufang, Hou, Tingjun, Yu, Bin, Liu, Hongmin, Sun, Yi

“…Protein neddylation is catalyzed by a neddylation activating enzyme (NAE, E1), an E2 conjugating enzyme, and an E3 ligase. In various types of human cancers,…”
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VGSC-DB: an online database of voltage-gated sodium channels by Wang, Gaoang, Yu, Jiahui, Du, Hongyan, Shen, Chao, Zhang, Xujun, Liu, Yifei, Zhang, Yangyang, Cao, Dongsheng, Pan, Peichen, Hou, Tingjun

“…As an important member of ion channels family, the voltage-gated sodium channel (VGSC/Na v ) is associated with a variety of diseases, including epilepsy,…”
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The competitive binding between inhibitors and substrates of HCV NS3/4A protease: A general mechanism of drug resistance by Guan, Yan, Sun, Huiyong, Li, Youyong, Pan, Peichen, Li, Dan, Hou, Tingjun

“…•Most drug resistant residues form stronger interactions with the inhibitors than with the substrates.•The resistant mechanisms for some mutations could not be…”
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