Artificial intelligence for drug discovery: Resources, methods, and applications

W Chen, X Liu, S Zhang, S Chen - Molecular therapy Nucleic acids, 2023 - cell.com
Conventional wet laboratory testing, validations, and synthetic procedures are costly and
time-consuming for drug discovery. Advancements in artificial intelligence (AI) techniques …

[HTML][HTML] Protein subcellular localization prediction tools

M Gillani, G Pollastri - Computational and Structural Biotechnology Journal, 2024 - Elsevier
Protein subcellular localization prediction is of great significance in bioinformatics and
biological research. Most of the proteins do not have experimentally determined localization …

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 …

Piquing artificial intelligence towards drug discovery: Tools, techniques, and applications

PC Agu, CN Obulose - Drug Development Research, 2024 - Wiley Online Library
The purpose of this study was to discuss how artificial intelligence (AI) methods have
affected the field of drug development. It looks at how AI models and data resources are …

Revolutionizing biological science: The synergy of genomics in health, bioinformatics, agriculture, and artificial intelligence

A Biswas, A Kumari, DS Gaikwad… - OMICS: A Journal of …, 2023 - liebertpub.com
With climate emergency, COVID-19, and the rise of planetary health scholarship, the binary
of human and ecosystem health has been deeply challenged. The interdependence of …

LMPhosSite: a deep learning-based approach for general protein phosphorylation site prediction using embeddings from the local window sequence and pretrained …

SC Pakhrin, S Pokharel, P Pratyush… - Journal of proteome …, 2023 - ACS Publications
Phosphorylation is one of the most important post-translational modifications and plays a
pivotal role in various cellular processes. Although there exist several computational tools to …

Surveying over 100 predictors of intrinsic disorder in proteins

B Zhao, L Kurgan - Expert Review of Proteomics, 2021 - Taylor & Francis
Introduction Intrinsic disorder prediction field develops, assesses, and deploys
computational predictors of disorder in protein sequences and constructs and disseminates …

Unveiling the evolution of policies for enhancing protein structure predictions: A comprehensive analysis

F Rahimzadeh, LM Khanli, P Salehpoor… - Computers in Biology …, 2024 - Elsevier
Predicting protein structure is both fascinating and formidable, playing a crucial role in
structure-based drug discovery and unraveling diseases with elusive origins. The Critical …

DeepNGlyPred: a deep neural network-based approach for human N-linked glycosylation site prediction

SC Pakhrin, KF Aoki-Kinoshita, D Caragea, DB Kc - Molecules, 2021 - mdpi.com
Protein N-linked glycosylation is a post-translational modification that plays an important role
in a myriad of biological processes. Computational prediction approaches serve as …

Challenge for Deep Learning: Protein Structure Prediction of Ligand-Induced Conformational Changes at Allosteric and Orthosteric Sites

G Olanders, G Testa, A Tibo, E Nittinger… - Journal of Chemical …, 2024 - ACS Publications
In the realm of biomedical research, understanding the intricate structure of proteins is
crucial, as these structures determine how proteins function within our bodies and interact …