Search Results - "Mao, Jiashun"

Saliency-Guided Single Shot Multibox Detector for Target Detection in SAR Images by Du, Lan, Li, Lu, Wei, Di, Mao, Jiashun

“…The single shot multibox detector (SSD), a proposal-free method based on convolutional neural network (CNN), has recently been proposed for target detection…”
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Leveraging the Fragment Molecular Orbital and MM-GBSA Methods in Virtual Screening for the Discovery of Novel Non-Covalent Inhibitors Targeting the TEAD Lipid Binding Pocket by Kim, Jongwan, Jin, Haiyan, Kim, Jinhyuk, Cho, Seon Yeon, Moon, Sungho, Wang, Jianmin, Mao, Jiashun, No, Kyoung Tai

“…The Hippo pathway controls organ size and homeostasis and is linked to numerous diseases, including cancer. The transcriptional enhanced associate domain…”
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Comprehensive strategies of machine-learning-based quantitative structure-activity relationship models by Mao, Jiashun, Akhtar, Javed, Zhang, Xiao, Sun, Liang, Guan, Shenghui, Li, Xinyu, Chen, Guangming, Liu, Jiaxin, Jeon, Hyeon-Nae, Kim, Min Sung, No, Kyoung Tai, Wang, Guanyu

“…Early quantitative structure-activity relationship (QSAR) technologies have unsatisfactory versatility and accuracy in fields such as drug discovery because…”
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Application of a deep generative model produces novel and diverse functional peptides against microbial resistance by Mao, Jiashun, Guan, Shenghui, Chen, Yongqing, Zeb, Amir, Sun, Qingxiang, Lu, Ranlan, Dong, Jie, Wang, Jianmin, Cao, Dongsheng

“…Antimicrobial resistance could threaten millions of lives in the immediate future. Antimicrobial peptides (AMPs) are an alternative to conventional antibiotics…”
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Development of an innovative data-driven system to generate descriptive prediction equation of dielectric constant on small sample sets by Mao, Jiashun, Zeb, Amir, Kim, Min Sung, Jeon, Hyeon-Nae, Wang, Jianmin, Guan, Shenghui, NO, Kyoung Tai

“…Dielectric constant (DC, ε) is a fundamental parameter in material sciences to measure polarizability of the system. In industrial processes, its value is an…”
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SAR Target Detection Based on SSD With Data Augmentation and Transfer Learning by Wang, Zhaocheng, Du, Lan, Mao, Jiashun, Liu, Bin, Yang, Dongwen

“…In this letter, the single shot multibox detector (SSD), which is a real-time object detection method based on convolutional neural network, is applied to…”
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Explore drug-like space with deep generative models by Wang, Jianmin, Mao, Jiashun, Wang, Meng, Le, Xiangyang, Wang, Yunyun

“…•We constructed drug-like datasets that cover the major drug-like spaces contained in QED and QEPPI.•We developed a conditional transformer method with MACCS…”
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Transformer-Based Molecular Generative Model for Antiviral Drug Design by Mao, Jiashun, Wang, Jianmin, Zeb, Amir, Cho, Kwang-Hwi, Jin, Haiyan, Kim, Jongwan, Lee, Onju, Wang, Yunyun, No, Kyoung Tai

“…Since the Simplified Molecular Input Line Entry System (SMILES) is oriented to the atomic-level representation of molecules and is not friendly in terms of…”
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Exploring the Conformational Ensembles of Protein–Protein Complex with Transformer-Based Generative Model by Wang, Jianmin, Wang, Xun, Chu, Yanyi, Li, Chunyan, Li, Xue, Meng, Xiangyu, Fang, Yitian, No, Kyoung Tai, Mao, Jiashun, Zeng, Xiangxiang

“…Protein–protein interactions are the basis of many protein functions, and understanding the contact and conformational changes of protein–protein interactions…”
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De novo molecular design with deep molecular generative models for PPI inhibitors by Wang, Jianmin, Chu, Yanyi, Mao, Jiashun, Jeon, Hyeon-Nae, Jin, Haiyan, Zeb, Amir, Jang, Yuil, Cho, Kwang-Hwi, Song, Tao, No, Kyoung Tai

“…Abstract We construct a protein–protein interaction (PPI) targeted drug-likeness dataset and propose a deep molecular generative framework to generate novel…”
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A new class of 1,3,5-triazine-based selective estrogen receptor degraders (SERDs): Lead optimization, molecular docking and dynamic simulation by Lu, Xiang, Huang, Ali, Xiao, Maoxu, Sun, Liang, Mao, Jiashun, Luo, Guoshun, Xiang, Hua

“…[Display omitted] •A series of 1,3,5-triazine-based SERDs were synthesized and biologically evaluated.•XHA1614 show outstanding cell antiproliferation and ER…”
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Diffusion-based generative drug-like molecular editing with chemical natural language by Wang, Jianmin, Zhou, Peng, Wang, Zixu, Long, Wei, Chen, Yangyang, No, Kyoung Tai, Ouyang, Dongsheng, Mao, Jiashun, Zeng, Xiangxiang

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Coarse-grained molecular dynamics simulation of interactions between cyclic lipopeptide Bacillomycin D and cell membranes by Sun, Liang, Mao, Jiashun, Zhao, Ying, Quan, Chunshan, Zhong, Meiling, Fan, Shengdi

“…According to experimental studies, Bacillomycin D has strong antimicrobial activities, but the antimicrobial mechanism is still unknown. In this paper, the…”
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Seeking mTORC1 Inhibitors Through Molecular Dynamics Simulation of Arginine Analogs Inhibiting CASTOR1 by Sun, Liang, Li, Xinyu, Pan, Jun, Mao, Jiashun, Yuan, Yueyang, Wang, Duoxi, Sun, Weiwei, Krueger, Gerhard R F, Wang, Guanyu

“…Hyperactivity of the mechanistic target of rapamycin complex 1 (mTORC1) is implicated in a variety of diseases such as cancer and diabetes. Treatment may…”
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