POSREG: proteomic signature discovered by simultaneously optimizing its reproducibility and generalizability

F Li, Y Zhou, Y Zhang, J Yin, Y Qiu… - Briefings in …, 2022 - academic.oup.com
Mass spectrometry-based proteomic technique has become indispensable in current
exploration of complex and dynamic biological processes. Instrument development has …

DrugMAP: molecular atlas and pharma-information of all drugs

F Li, J Yin, M Lu, M Mou, Z Li, Z Zeng, Y Tan… - Nucleic acids …, 2023 - academic.oup.com
The efficacy and safety of drugs are widely known to be determined by their interactions with
multiple molecules of pharmacological importance, and it is therefore essential to …

Molecular mechanism for the allosteric inhibition of the human serotonin transporter by antidepressant escitalopram

W Xue, T Fu, S Deng, F Yang, J Yang… - ACS chemical …, 2022 - ACS Publications
Human serotine transporter (hSERT) is one of the most influential drug targets, and its
allosteric modulators (eg, escitalopram) have emerged to be the next-generation medication …

Metagenome-scale community metabolic modelling for understanding the role of gut microbiota in human health

S Beura, P Kundu, AK Das, A Ghosh - Computers in Biology and Medicine, 2022 - Elsevier
Metabolic activities of the microbial population are important to maintain the balance of
almost all the ecosystems on earth. In the human gut environment, these microbial …

LargeMetabo: an out-of-the-box tool for processing and analyzing large-scale metabolomic data

Q Yang, B Li, P Wang, J Xie, Y Feng… - Briefings in …, 2022 - academic.oup.com
Large-scale metabolomics is a powerful technique that has attracted widespread attention in
biomedical studies focused on identifying biomarkers and interpreting the mechanisms of …

ConSIG: consistent discovery of molecular signature from OMIC data

F Li, J Yin, M Lu, Q Yang, Z Zeng, B Zhang… - Briefings in …, 2022 - academic.oup.com
The discovery of proper molecular signature from OMIC data is indispensable for
determining biological state, physiological condition, disease etiology, and therapeutic …

PFmulDL: a novel strategy enabling multi-class and multi-label protein function annotation by integrating diverse deep learning methods

W Xia, L Zheng, J Fang, F Li, Y Zhou, Z Zeng… - Computers in Biology …, 2022 - Elsevier
Bioinformatic annotation of protein function is essential but extremely sophisticated, which
asks for extensive efforts to develop effective prediction method. However, the existing …

Investigating cardiotoxicity related with hERG channel blockers using molecular fingerprints and graph attention mechanism

T Wang, J Sun, Q Zhao - Computers in Biology and Medicine, 2023 - Elsevier
Human ether-a-go-go-related gene (hERG) channel blockade by small molecules is a big
concern during drug development in the pharmaceutical industry. Failure or inhibition of …

A multi-omics machine learning framework in predicting the survival of colorectal cancer patients

M Yang, H Yang, L Ji, X Hu, G Tian, B Wang… - Computers in Biology …, 2022 - Elsevier
Background Colorectal cancer (CRC), the 3rd most universal cancer globally, accounts for
approximately 10% of newly diagnosed cancer incidences each year. Identifying biomarkers …

A review of performance prediction based on machine learning in materials science

Z Fu, W Liu, C Huang, T Mei - Nanomaterials, 2022 - mdpi.com
With increasing demand in many areas, materials are constantly evolving. However, they
still have numerous practical constraints. The rational design and discovery of new materials …