Zobrazeno 1 - 10
of 927
pro vyhledávání: '"Gao Zhifeng"'
Autor:
Shi, Yaorui, Li, Sihang, Zhang, Taiyan, Fang, Xi, Wang, Jiankun, Liu, Zhiyuan, Zhao, Guojiang, Zhu, Zhengdan, Gao, Zhifeng, Zhong, Renxin, Zhang, Linfeng, Ke, Guolin, E, Weinan, Cai, Hengxing, Wang, Xiang
Automated drug discovery offers significant potential for accelerating the development of novel therapeutics by substituting labor-intensive human workflows with machine-driven processes. However, a critical bottleneck persists in the inability of cu
Externí odkaz:
http://arxiv.org/abs/2412.07819
Publikováno v:
Open Life Sciences, Vol 16, Iss 1, Pp 375-383 (2021)
Maintenance of the function and survival of liver sinusoidal endothelial cells (LSECs) play a crucial role in hepatic ischemia/reperfusion (I/R) injury, a major cause of liver impairment during the surgical treatment. Emerging evidence indicates a cr
Externí odkaz:
https://doaj.org/article/02db13b1282c4d05a2d9fe71d9090e43
Autor:
Huang, Wenqiang, Jin, Yuchen, Li, Zhemin, Yao, Lin, Chen, Yun, Luo, Zheng, Zhou, Shen, Lin, Jinguo, Liu, Feng, Gao, Zhifeng, Cheng, Jun, Zhang, Linfeng, Ouyang, Fangping, Zhang, Jin, Wang, Shanshan
Unveiling atomic structures is significant for the relationship construction between microscopic configurations and macroscopic properties of materials. However, we still lack a rapid, accurate, and robust approach to automatically resolve complex pa
Externí odkaz:
http://arxiv.org/abs/2408.16802
Autor:
Xu, Fanjie, Guo, Wentao, Wang, Feng, Yao, Lin, Wang, Hongshuai, Tang, Fujie, Gao, Zhifeng, Zhang, Linfeng, E, Weinan, Tian, Zhong-Qun, Cheng, Jun
The study of structure-spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships. Herein, we i
Externí odkaz:
http://arxiv.org/abs/2408.15681
Virtual Screening is an essential technique in the early phases of drug discovery, aimed at identifying promising drug candidates from vast molecular libraries. Recently, ligand-based virtual screening has garnered significant attention due to its ef
Externí odkaz:
http://arxiv.org/abs/2409.07462
Autor:
Zeng, Boshen, Chen, Sian, Liu, Xinxin, Chen, Changhong, Deng, Bin, Wang, Xiaoxu, Gao, Zhifeng, Zhang, Yuzhi, E, Weinan, Zhang, Linfeng
Advancements in lithium battery technology heavily rely on the design and engineering of electrolytes. However, current schemes for molecular design and recipe optimization of electrolytes lack an effective computational-experimental closed loop and
Externí odkaz:
http://arxiv.org/abs/2407.06152
In recent years, pretraining models have made significant advancements in the fields of natural language processing (NLP), computer vision (CV), and life sciences. The significant advancements in NLP and CV are predominantly driven by the expansion o
Externí odkaz:
http://arxiv.org/abs/2406.14969
Autor:
Lin, Haitao, Zhao, Guojiang, Zhang, Odin, Huang, Yufei, Wu, Lirong, Liu, Zicheng, Li, Siyuan, Tan, Cheng, Gao, Zhifeng, Li, Stan Z.
Structure-based drug design (SBDD) aims to generate potential drugs that can bind to a target protein and is greatly expedited by the aid of AI techniques in generative models. However, a lack of systematic understanding persists due to the diverse s
Externí odkaz:
http://arxiv.org/abs/2406.10840
Polymers are high-molecular-weight compounds constructed by the covalent bonding of numerous identical or similar monomers so that their 3D structures are complex yet exhibit unignorable regularity. Typically, the properties of a polymer, such as pla
Externí odkaz:
http://arxiv.org/abs/2406.04727
In recent years, machine learning (ML) methods have emerged as promising alternatives for molecular docking, offering the potential for high accuracy without incurring prohibitive computational costs. However, recent studies have indicated that these
Externí odkaz:
http://arxiv.org/abs/2405.11769