Zobrazeno 1 - 10
of 7 188
pro vyhledávání: '"Odin IS"'
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:
Zhang, Jintu, Bonati, Luigi, Trizio, Enrico, Zhang, Odin, Kang, Yu, Hou, TingJun, Parrinello, Michele
Enhanced sampling simulations make the computational study of rare events feasible. A large family of such methods crucially depends on the definition of some collective variables (CVs) that could provide a low-dimensional representation of the relev
Externí odkaz:
http://arxiv.org/abs/2409.07339
Autor:
Wang, Jike, Qin, Rui, Wang, Mingyang, Fang, Meijing, Zhang, Yangyang, Zhu, Yuchen, Su, Qun, Gou, Qiaolin, Shen, Chao, Zhang, Odin, Wu, Zhenxing, Jiang, Dejun, Zhang, Xujun, Zhao, Huifeng, Wan, Xiaozhe, Wu, Zhourui, Liu, Liwei, Kang, Yu, Hsieh, Chang-Yu, Hou, Tingjun
Significant interests have recently risen in leveraging sequence-based large language models (LLMs) for drug design. However, most current applications of LLMs in drug discovery lack the ability to comprehend three-dimensional (3D) structures, thereb
Externí odkaz:
http://arxiv.org/abs/2407.07930
Publikováno v:
Fortschr. Phys. 72, 2400177 (2024)
Four $SU(5)$ $N=1$ supersymmetric models which exhibit $S_3$ and/or $Z_N$ symmetries are studied, that are finite to two or all loops, and their corresponding mass matrices. The first is an all-loop finite model based on an $S_3\times Z_3\times Z_2$
Externí odkaz:
http://arxiv.org/abs/2406.17702
Autor:
Chen, Zhichao, Li, Haoxuan, Wang, Fangyikang, Zhang, Odin, Xu, Hu, Jiang, Xiaoyu, Song, Zhihuan, Wang, Eric H.
Diffusion models (DMs) have gained attention in Missing Data Imputation (MDI), but there remain two long-neglected issues to be addressed: (1). Inaccurate Imputation, which arises from inherently sample-diversification-pursuing generative process of
Externí odkaz:
http://arxiv.org/abs/2406.15762
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
The motivation of this paper is to recognize a geometric shape from a noisy sample in the form of a point cloud. Inspired by the HDBSCAN clustering algorithm, we introduce the core dissimilarity, from which we construct the core bifiltration. We also
Externí odkaz:
http://arxiv.org/abs/2405.01214
Autor:
Zhang, Odin, Lin, Haitao, Zhang, Hui, Zhao, Huifeng, Huang, Yufei, Huang, Yuansheng, Jiang, Dejun, Hsieh, Chang-yu, Pan, Peichen, Hou, Tingjun
The idea of using deep-learning-based molecular generation to accelerate discovery of drug candidates has attracted extraordinary attention, and many deep generative models have been developed for automated drug design, termed molecular generation. I
Externí odkaz:
http://arxiv.org/abs/2404.19230
Rare event sampling is a central problem in modern computational chemistry research. Among the existing methods, transition path sampling (TPS) can generate unbiased representations of reaction processes. However, its efficiency depends on the abilit
Externí odkaz:
http://arxiv.org/abs/2404.02597
Autor:
Zhang, Odin, Huang, Yufei, Cheng, Shichen, Yu, Mengyao, Zhang, Xujun, Lin, Haitao, Zeng, Yundian, Wang, Mingyang, Wu, Zhenxing, Zhao, Huifeng, Zhang, Zaixi, Hua, Chenqing, Kang, Yu, Cui, Sunliang, Pan, Peichen, Hsieh, Chang-Yu, Hou, Tingjun
Most earlier 3D structure-based molecular generation approaches follow an atom-wise paradigm, incrementally adding atoms to a partially built molecular fragment within protein pockets. These methods, while effective in designing tightly bound ligands
Externí odkaz:
http://arxiv.org/abs/2404.00014