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Cryo-Electron Microscopy (cryo-EM) has emerged as a key technology to determine the structure of proteins, particularly large protein complexes and assemblies in recent years. A key challenge in cryo-EM data analysis is to automatically…

生物大分子 · 定量生物学 2023-04-04 Nabin Giri , Raj S. Roy , Jianlin Cheng

Cryo-electron microscopy (cryo-EM) has revolutionized structural biology by enabling near-atomic-level visualization of biomolecular assemblies. However, the exponential growth in cryo-EM data throughput and complexity, coupled with diverse…

定量方法 · 定量生物学 2026-02-25 Weining Fu , Kai Shu , Kui Xu , Qiangfeng Cliff Zhang

We introduce PhenixCraft, a fully automated pipeline for building atomic models from cryo-EM density maps. By integrating AlphaFold predictions, we enhance the map-segmentation step in Phenix during model building, addressing challenges…

生物大分子 · 定量生物学 2026-05-08 Chenwei Zhang

Cryo-electron microscopy (cryo-EM) is a technique for reconstructing the 3-dimensional (3D) structure of biomolecules (especially large protein complexes and molecular assemblies). As the resolution increases to the near-atomic scale,…

计算机视觉与模式识别 · 计算机科学 2023-08-08 Weijie Chen , Xinyan Wang , Yuhang Wang

Cryo-electron microscopy (cryo-EM) has become a major experimental technique to determine the structures of large protein complexes and molecular assemblies, as evidenced by the 2017 Nobel Prize. Although cryo-EM has been drastically…

生物大分子 · 定量生物学 2021-06-01 Dong Si , Andrew Nakamura , Runbang Tang , Haowen Guan , Jie Hou , Ammaar Firozi , Renzhi Cao , Kyle Hippe , Minglei Zhao

Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

机器学习 · 计算机科学 2025-02-27 Gregory W. Kyro , Tianyin Qiu , Victor S. Batista

High-resolution structure determination by cryo-electron microscopy (cryo-EM) requires the accurate fitting of an atomic model into an experimental density map. Traditional refinement pipelines such as Phenix.real_space_refine and Rosetta…

生物大分子 · 定量生物学 2026-03-10 Fuyao Huang , Xiaozhu Yu , Kui Xu , Qiangfeng Cliff Zhang

Advances in imagery at atomic and near-atomic resolution, such as cryogenic electron microscopy (cryo-EM), have led to an influx of high resolution images of proteins and other macromolecular structures to data banks worldwide. Producing a…

定量方法 · 定量生物学 2021-04-06 Nathan Ranno , Dong Si

After AlphaFold won the Nobel Prize, protein prediction with deep learning once again became a hot topic. We comprehensively explore advanced deep learning methods applied to protein structure prediction and design. It begins by examining…

The recent improvements in cryo-electron microscopy (cryo-EM) in the past few years are now allowing to observe molecular complexes at atomic resolution. As a consequence, numerous structures derived from cryo-EM are now available in the…

生物大分子 · 定量生物学 2020-05-04 Mikael Trellet , Gydo van Zundert , Alexandre M. J. J. Bonvin

Protein structure prediction models are now capable of generating accurate 3D structural hypotheses from sequence alone. However, they routinely fail to capture the conformational diversity of dynamic biomolecular complexes, often requiring…

机器学习 · 计算机科学 2025-12-02 Rishwanth Raghu , Axel Levy , Gordon Wetzstein , Ellen D. Zhong

Constructing of molecular structural models from Cryo-Electron Microscopy (Cryo-EM) density volumes is the critical last step of structure determination by Cryo-EM technologies. Methods have evolved from manual construction by structural…

机器学习 · 计算机科学 2019-02-13 Kui Xu , Zhe Wang , Jiangping Shi , Hongsheng Li , Qiangfeng Cliff Zhang

The past decade's "cryoEM revolution" has produced exponential growth in high-resolution structural data through advances in cryogenic electron microscopy (cryoEM) and tomography (cryoET). Deep learning integration into structural…

定量方法 · 定量生物学 2025-07-29 Brady K. Zhou , Jason J. Hu , Jane K. J. Lee , Z. Hong Zhou , Demetri Terzopoulos

Knowledge of a protein's atomic conformational ensemble is critical to determining its function, yet state-of-the-art ensemble prediction models are limited by lack of high-quality conformational data from simulation or experiment. Recent…

机器学习 · 计算机科学 2026-05-12 Jay Shenoy , Miro Astore , Axel Levy , Frédéric Poitevin , Sonya M. Hanson , Gordon Wetzstein

Enhancing cryogenic electron microscopy (cryo-EM) 3D density maps at intermediate resolution (4-8 {\AA}) is crucial in protein structure determination. Recent advances in deep learning have led to the development of automated approaches for…

计算机视觉与模式识别 · 计算机科学 2025-05-16 Chenwei Zhang , Khanh Dao Duc

Cryo-electron microscopy (cryo-EM) remains pivotal in structural biology, yet the task of protein particle picking, integral for 3D protein structure construction, is laden with manual inefficiencies. While recent AI tools such as Topaz and…

计算机视觉与模式识别 · 计算机科学 2023-11-29 Fei He , Zhiyuan Yang , Mingyue Gao , Biplab Poudel , Newgin Sam Ebin Sam Dhas , Rajan Gyawali , Ashwin Dhakal , Jianlin Cheng , Dong Xu

Cryo-electron microscopy (cryo-EM) is a powerful technique in structural biology and drug discovery, enabling the study of biomolecules at high resolution. Significant advancements by structural biologists using cryo-EM have led to the…

生物大分子 · 定量生物学 2024-12-05 Yi Zhou , Yilai Li , Jing Yuan , Quanquan Gu

The three-dimensional structure of proteins plays a crucial role in determining their function. Protein structure prediction methods, like AlphaFold, offer rapid access to a protein structure. However, large protein complexes cannot be…

生物大分子 · 定量生物学 2025-03-05 Gabriel Ducrocq , Lukas Grunewald , Sebastian Westenhoff , Fredrik Lindsten

Electron cryo-microscopy (cryo-EM) produces three-dimensional (3D) maps of the electrostatic potential of biological macromolecules, including proteins. Along with knowledge about the imaged molecules, cryo-EM maps allow de novo atomic…

定量方法 · 定量生物学 2023-02-09 Kiarash Jamali , Dari Kimanius , Sjors H. W. Scheres

Recent breakthroughs in high-resolution imaging of biomolecules in solution with cryo-electron microscopy (cryo-EM) have unlocked new doors for the reconstruction of molecular volumes, thereby promising further advances in biology,…

图像与视频处理 · 电气工程与系统科学 2022-05-27 Claire Donnat , Axel Levy , Frederic Poitevin , Ellen Zhong , Nina Miolane
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