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187 results on '"Liu, Linjing"'

2. DiffDTM: A conditional structure-free framework for bioactive molecules generation targeted for dual proteins

Author

Huang, Lei, Yuan, Zheng, Yan, Huihui, Sheng, Rong, Liu, Linjing, Wang, Fuzhou, Xie, Weidun, Chen, Nanjun, Huang, Fei, Huang, Songfang, Wong, Ka-Chun, and Zhang, Yaoyun

Subjects
Computer Science - Machine Learning, Quantitative Biology - Biomolecules
Abstract

Advances in deep generative models shed light on de novo molecule generation with desired properties. However, molecule generation targeted for dual protein targets still faces formidable challenges including protein 3D structure data requisition for model training, auto-regressive sampling, and model generalization for unseen targets. Here, we proposed DiffDTM, a novel conditional structure-free deep generative model based on a diffusion model for dual targets based molecule generation to address the above issues. Specifically, DiffDTM receives protein sequences and molecular graphs as inputs instead of protein and molecular conformations and incorporates an information fusion module to achieve conditional generation in a one-shot manner. We have conducted comprehensive multi-view experiments to demonstrate that DiffDTM can generate drug-like, synthesis-accessible, novel, and high-binding affinity molecules targeting specific dual proteins, outperforming the state-of-the-art (SOTA) models in terms of multiple evaluation metrics. Furthermore, we utilized DiffDTM to generate molecules towards dopamine receptor D2 and 5-hydroxytryptamine receptor 1A as new antipsychotics. The experimental results indicate that DiffDTM can be easily plugged into unseen dual targets to generate bioactive molecules, addressing the issues of requiring insufficient active molecule data for training as well as the need to retrain when encountering new targets.

Published
2023

8. Transgression–regression processes since the MIS 3 in the coastal zone of Quanzhou Bay, Fujian

Author

ZHAO Hongmei, MAO Xin, LIU Chunlei, LI Yasong, and LIU Linjing

Subjects
quanzhou bay, coastal zone, mis 3, transgression, geochemical element ratio, sedimentary environment, Geology, QE1-996.5
Abstract

The coastal zone is sensitive to sea–land interaction, making it an ideal place to study the transgression–regression process in Quaternary coastal areas. Based on the stratigraphic and lithologic characteristics of two Quaternary drill cores (DZ01 and DZ02) in the coastal zone of Quanzhou Bay, Fujian Province, a stratigraphic chronological framework was established by using AMS-14C and OSL dating methods. Combined with the statistical analysis results of geochemical element content of indicating facies in modern sediments in Quanzhou Bay, the geochemical element ratios, foraminifers, and ostracods' environmental indicators were used to identify transgressive strata since the Late Pleistocene. The transgression–regression processes since the MIS 3 in Quanzhou Bay were analyzed by comparing it with the regional borehole data. The results show that the Sr/Ba and Mn/Fe values vary significantly in the marine sediments at different water depths in Quanzhou Bay, making them suitable as indicator elements in the marine and sea–land transitional sediments in the Quanzhou Bay coast, with the limit values of Sr/Ba

Published
2023
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24. Both Nutrients and Macrophytes Regulate Organic Carbon Burial: Insights from High-Resolution Spatiotemporal Records of a Large Shallow Lake (Baiyangdian) in Eastern China

Author

Mao, Xin, primary, Zhao, Hongmei, additional, Kattel, Giri, additional, Jiang, Gaolei, additional, Ji, Yunping, additional, Liu, Taibei, additional, Yang, Jingsong, additional, Liu, Zhe, additional, Wang, Chengmin, additional, Zhao, Hua, additional, Liu, Linjing, additional, and Dong, Qiuyao, additional

Published
2024
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35. Lead zirconate titanate ceramics with aligned crystallite grains

Author

Li, Jinglei, primary, Qu, Wanbo, additional, Daniels, John, additional, Wu, Haijun, additional, Liu, Linjing, additional, Wu, Jie, additional, Wang, Mingwen, additional, Checchia, Stefano, additional, Yang, Shuai, additional, Lei, Haobin, additional, Lv, Rui, additional, Zhang, Yang, additional, Wang, Danyang, additional, Li, Xuexin, additional, Ding, Xiangdong, additional, Sun, Jun, additional, Xu, Zhuo, additional, Chang, Yunfei, additional, Zhang, Shujun, additional, and Li, Fei, additional

Published
2023
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39. Photolithographic fabrication of graphene-based all-solid-state planar on-chip microsupercapacitors with ultrahigh power characteristics.

Author

Zhang, Ludi, Liu, Linjing, Liu, Chunfeng, Li, Xiang, Liu, Fangshuo, Zhao, Wenqiang, Wang, Shu, Wu, Fengmin, and Zhang, Guangyu

Subjects
*GRAPHENE oxide, *SPIN coating, *OXIDE coating, *POWER density, *ELECTRODES
Abstract

The fabrication of all-solid-state planar on-chip microsupercapacitors with ultrahigh power characteristics was demonstrated by reduced graphene oxide and photolithography technology. In this paper, an ultrathin reduced graphene oxide film with a thickness of 8 nm was prepared by a modified spin coating method that makes the microsupercapacitors have higher power characteristics which appear in high conductivity and fast charge and discharge rates. The electrodes, with a width of 150 μm, are narrower than existing electrodes in the field and fabricated by photolithography. In terms of performance, these microsupercapacitors have an extremely short time constant which is 0.03 ms, a high power density which is 17.94 W cm−3, and an excellent cycle stability with a capacitance retention of 94.6% after 10 000 cycles. [ABSTRACT FROM AUTHOR]

Published
2019
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