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 …

[HTML][HTML] Structure-based protein and small molecule generation using EGNN and diffusion models: A comprehensive review

F Soleymani, E Paquet, HL Viktor… - Computational and …, 2024 - Elsevier
Recent breakthroughs in deep learning have revolutionized protein sequence and structure
prediction. These advancements are built on decades of protein design efforts, and are …

[HTML][HTML] 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, 2023 - 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 …

[HTML][HTML] CryoVirusDB: a labeled cryo-EM image dataset for AI-driven virus particle picking

R Gyawali, A Dhakal, L Wang, J Cheng - bioRxiv, 2023 - ncbi.nlm.nih.gov
With the advancements in instrumentation, image processing algorithms, and computational
capabilities, single-particle electron cryo-microscopy (cryo-EM) has achieved nearly atomic …

CryoSegNet: accurate cryo-EM protein particle picking by integrating the foundational AI image segmentation model and attention-gated U-Net

R Gyawali, A Dhakal, L Wang… - Briefings in …, 2024 - academic.oup.com
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 …

Accurate prediction of protein tertiary structural changes induced by single-site mutations with equivariant graph neural networks

S Mahmud, A Morehead, J Cheng - bioRxiv, 2023 - biorxiv.org
Predicting the change of protein tertiary structure caused by singlesite mutations is important
for studying protein structure, function, and interaction. Even though computational protein …