Deep learning for reconstructing protein structures from cryo-EM density maps: Recent advances and future directions

N Giri, RS Roy, J Cheng - Current opinion in structural biology, 2023 - Elsevier
Abstract 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 …

De novo atomic protein structure modeling for cryoEM density maps using 3D transformer and HMM

N Giri, J Cheng - Nature Communications, 2024 - nature.com
Accurately building 3D atomic structures from cryo-EM density maps is a crucial step in cryo-
EM-based protein structure determination. Converting density maps into 3D atomic …

Novel artificial intelligence-based approaches for ab initio structure determination and atomic model building for cryo-electron microscopy

MC DiIorio, AW Kulczyk - Micromachines, 2023 - mdpi.com
Single particle cryo-electron microscopy (cryo-EM) has emerged as the prevailing method
for near-atomic structure determination, shedding light on the important molecular …

A large expert-curated cryo-EM image dataset for machine learning protein particle picking

A Dhakal, R Gyawali, L Wang, J Cheng - Scientific Data, 2023 - nature.com
Cryo-electron microscopy (cryo-EM) is a powerful technique for determining the structures of
biological macromolecular complexes. Picking single-protein particles from cryo-EM …

CryoTransformer: a transformer model for picking protein particles from Cryo-EM micrographs

A Dhakal, R Gyawali, L Wang, J Cheng - Bioinformatics, 2024 - academic.oup.com
Motivation Cryo-electron microscopy (cryo-EM) is a powerful technique for determining the
structures of large protein complexes. Picking single protein particles from cryo-EM …

Cryo2structdata: A large labeled cryo-em density map dataset for ai-based modeling of protein structures

N Giri, L Wang, J Cheng - Scientific Data, 2024 - nature.com
The advent of single-particle cryo-electron microscopy (cryo-EM) has brought forth a new
era of structural biology, enabling the routine determination of large biological molecules …

A review of biophysical strategies to investigate protein-ligand binding: What have we employed?

Z Zhao, L Zhao, C Kong, J Zhou, F Zhou - International Journal of Biological …, 2024 - Elsevier
The protein-ligand binding frequently occurs in living organisms and plays a crucial role in
the execution of the functions of proteins and drugs. It is also an indispensable part of drug …

[HTML][HTML] De novo atomic protein structure modeling for cryo-em density maps using 3d transformer and hidden markov model

N Giri, J Cheng - bioRxiv, 2024 - ncbi.nlm.nih.gov
Accurately building three-dimensional (3D) atomic structures from 3D cryo-electron
microscopy (cryo-EM) density maps is a crucial step in the cryo-EM-based determination of …

An outlook on structural biology after A lpha F old: tools, limits and perspectives

S Rosignoli, M Pacelli, F Manganiello… - FEBS Open …, 2024 - Wiley Online Library
AlphaFold and similar groundbreaking, AI‐based tools, have revolutionized the field of
structural bioinformatics, with their remarkable accuracy in ab‐initio protein structure …

Accurate cryo-EM protein particle picking by integrating the foundational AI image segmentation model and specialized U-Net

R Gyawali, A Dhakal, L Wang, J Cheng - bioRxiv, 2024 - pmc.ncbi.nlm.nih.gov
Picking protein particles in cryo-electron microscopy (cryo-EM) micrographs is a crucial step
in the cryo-EM-based structure determination. However, existing methods trained on a …