Zobrazeno 1 - 10
of 127
pro vyhledávání: '"Zheng, Shuangjia"'
Autor:
Hua, Chenqing, Liu, Yong, Zhang, Dinghuai, Zhang, Odin, Luan, Sitao, Yang, Kevin K., Wolf, Guy, Precup, Doina, Zheng, Shuangjia
Enzyme design is a critical area in biotechnology, with applications ranging from drug development to synthetic biology. Traditional methods for enzyme function prediction or protein binding pocket design often fall short in capturing the dynamic and
Externí odkaz:
http://arxiv.org/abs/2410.00327
Autor:
Hua, Chenqing, Zhong, Bozitao, Luan, Sitao, Hong, Liang, Wolf, Guy, Precup, Doina, Zheng, Shuangjia
Publikováno v:
38th Conference on Neural Information Processing Systems (NeurIPS 2024) Track on Datasets and Benchmarks
Enzymes, with their specific catalyzed reactions, are necessary for all aspects of life, enabling diverse biological processes and adaptations. Predicting enzyme functions is essential for understanding biological pathways, guiding drug development,
Externí odkaz:
http://arxiv.org/abs/2408.13659
Graph Neural Networks (GNNs) have gained considerable traction for their capability to effectively process topological data, yet their interpretability remains a critical concern. Current interpretation methods are dominated by post-hoc explanations
Externí odkaz:
http://arxiv.org/abs/2402.04710
Protein-protein interactions (PPIs) are crucial in regulating numerous cellular functions, including signal transduction, transportation, and immune defense. As the accuracy of multi-chain protein complex structure prediction improves, the challenge
Externí odkaz:
http://arxiv.org/abs/2402.03675
Molecular dynamics simulations have emerged as a fundamental instrument for studying biomolecules. At the same time, it is desirable to perform simulations of a collection of particles under various conditions in which the molecules can fluctuate. In
Externí odkaz:
http://arxiv.org/abs/2308.15116
Autor:
Zheng, Shuangjia1 shuangjia.zheng@sjtu.edu.cn, Rao, Jiahua2, Zhang, Jixian3, Zhou, Lianyu4, Xie, Jiancong2, Cohen, Ethan5, Lu, Wei3, Li, Chengtao3, Yang, Yuedong2 yangyd25@mail.sysu.edu.cn
Publikováno v:
Advanced Science. 8/27/2024, Vol. 11 Issue 32, p1-11. 11p.
Illuminating the interconnections between drugs and genes is an important topic in drug development and precision medicine. Currently, computational predictions of drug-gene interactions mainly focus on the binding interactions without considering ot
Externí odkaz:
http://arxiv.org/abs/2205.05957
Optimizing chemical molecules for desired properties lies at the core of drug development. Despite initial successes made by deep generative models and reinforcement learning methods, these methods were mostly limited by the requirement of predefined
Externí odkaz:
http://arxiv.org/abs/2111.15146
The wide application of smart devices enables the availability of multimodal data, which can be utilized in many tasks. In the field of multimodal sentiment analysis (MSA), most previous works focus on exploring intra- and inter-modal interactions. H
Externí odkaz:
http://arxiv.org/abs/2109.01797
Link prediction for knowledge graphs aims to predict missing connections between entities. Prevailing methods are limited to a transductive setting and hard to process unseen entities. The recent proposed subgraph-based models provided alternatives t
Externí odkaz:
http://arxiv.org/abs/2108.00954