Haifeng Chen

Iterative Enoyl Reduction by a FabV-Family Enzyme Expands the Chemical Landscape of Discrete Polyketide Synthases

Yan Gao, Kai Jiang, Yuhan Dai, Huixue Chen et autres

Polyketides are a structurally diverse class of natural products with immense therapeutic potential. However, the biosynthetic output of discrete polyketide synthases (PKSs) has been constrained by a fundamental functional limitation: unlike modular Type I systems, discrete PKS systems typically lack integrated enoyl …

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StruCloze: A Unified Framework for Backmapping and Inpainting Biomolecule Structures

J. Zhu, Zirui Fan, Zhengxin Li, Zhuoqi Zheng et autres

Atomistic resolution is essential for understanding biomolecular structure and function, yet coarse-grained (CG) models remain indispensable for simulating large and dynamic systems. Reconstructing accurate all-atom structures from CG representations, particularly across varied CG schemes and biomolecular types, remains a fundamental challenge. Moreover, …

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Scaffold-Lab: Critical evaluation and ranking of protein backbone generation methods in a unified framework

Zhuoqi Zheng, Bo Zhang, Bozitao Zhong, Kexin Liu et autres

Abstract De novo protein design has undergone a rapid development in recent years, especially for backbone generation, which stands out as more challenging yet valuable, offering the ability to design novel protein folds with fewer constraints. However, a comprehensive delineation of its …

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STGAT : A Novel Spatiotemporal Graph Attention Approach for Dynamical Trajectory Prediction

Haowei Tong, Ningjie Zhang, Zhouyu Lu, Ting Wei et autres

Predicting the complex motion trajectories of biological macromolecules, especially proteins, poses a significant challenge in biology. Although the traditional molecular dynamics (MD) simulation method offers insights into molecular motion, it is constrained by intensive computational demands and relatively short time scales. To …

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On-Site Lightning Impulse Test and Process Optimization Research on Distribution Network Equipment

Zhong Cheng, Feng Chen, Haifeng Chen, Yu Wen Tian et autres

Lightning impulse tests are conducted on distribution equipment to assess whether the insulation level meets factory standards and to identify potential insulation defects. Such tests enhance the safety and stability of distribution network operation. Firstly, in order to address the issue of …

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Deep learning model of post-translational modification regulating liquid-liquid phase separation

Xiaokun Hong, Jiyang Lv, Zhengxin Li, Junjie Zhu et autres

Liquid-liquid phase separation (LLPS) drives the formation of various membraneless organelles, which are crucial for biological processes and disease development. Despite the significant regulatory effects on LLPS of protein post-translational modifications (PTMs), specific data resource and predictor are still lacking. First, we …

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3226 – RIBOSOME BIOGENESIS AND RIBOSOME HETEROGENEITY DURING ENDOTHELIAL-TO-HEMATOPOIETIC TRANSITION

Jie R Zhou, Di Liu, Haizhen Wang, Haifeng Chen et autres

Protein language model supervised motif-scaffolding design with GPDL

Bo Zhang, Kexin Liu, Zhuoqi Zheng, Junjie Zhu et autres

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DynaRNA: accurate dynamic RNA conformation ensemble generation with diffusion model

Zhengxin Li, Xiaokun Hong, Junxi Mu, Zhuoqi Zheng et autres

RNA plays a wide variety of roles in biological processes. In addition to serving as the coding messenger RNA (mRNA), the vast majority of RNAs function as non-coding RNAs (ncRNAs), where their dynamic structural ensemble is critical for mediating diverse biological functions. …

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Accurate Generation of Conformational Ensembles for Intrinsically Disordered Proteins with IDPFold

Zhengxin Li, Zhuoqi Zheng, Bo Zhang, Bozitao Zhong et autres

Intrinsically disordered proteins (IDPs) play pivotal roles in various biological functions whose dynamic structures are closely associated with many human diseases, including cancer, diabetes, and Alzheimer disease. Structural investigations of IDPs typically involve a combination of molecular dynamics (MD) simulations and experimental …

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Generative Model of Protein Dynamic Trajectory Based on Latent Diffusion with DynaFold

Haifeng Chen, Zirui Fan

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Design, synthesis, and biological evaluation of estratriene-based hydroxamic acid derivatives as histone deacetylase inhibitors

Haifeng Chen, Ying Li, Zhenghui Liang, Zhiwei Zhong et autres

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