[HTML][HTML] Revolutionizing medicinal chemistry: the application of artificial intelligence (AI) in early drug discovery

R Han, H Yoon, G Kim, H Lee, Y Lee - Pharmaceuticals, 2023 - mdpi.com
Artificial intelligence (AI) has permeated various sectors, including the pharmaceutical
industry and research, where it has been utilized to efficiently identify new chemical entities …

EMDB—the electron microscopy data bank

Nucleic acids research, 2024 - academic.oup.com
Abstract The Electron Microscopy Data Bank (EMDB) is the global public archive of three-
dimensional electron microscopy (3DEM) maps of biological specimens derived from …

TTD: Therapeutic Target Database describing target druggability information

Y Zhou, Y Zhang, D Zhao, X Yu, X Shen… - Nucleic acids …, 2024 - academic.oup.com
Target discovery is one of the essential steps in modern drug development, and the
identification of promising targets is fundamental for developing first-in-class drug. A variety …

MODOMICS: a database of RNA modifications and related information. 2023 update

A Cappannini, A Ray, E Purta, S Mukherjee… - Nucleic Acids …, 2024 - academic.oup.com
The MODOMICS database was updated with recent data and now includes new data types
related to RNA modifications. Changes to the database include an expanded modification …

ADCdb: the database of antibody–drug conjugates

L Shen, X Sun, Z Chen, Y Guo, Z Shen… - Nucleic Acids …, 2024 - academic.oup.com
Antibody-drug conjugates (ADCs) are a class of innovative biopharmaceutical drugs, which,
via their antibody (mAb) component, deliver and release their potent warhead (aka. payload) …

[HTML][HTML] A transformer-based ensemble framework for the prediction of protein–protein interaction sites

M Mou, Z Pan, Z Zhou, L Zheng, H Zhang, S Shi, F Li… - Research, 2023 - spj.science.org
The identification of protein–protein interaction (PPI) sites is essential in the research of
protein function and the discovery of new drugs. So far, a variety of computational tools …

Erianin inhibits the growth and metastasis through autophagy-dependent ferroptosis in KRASG13D colorectal cancer

Q Miao, W Deng, W Lyu, Z Sun, S Fan, M Qi… - Free Radical Biology …, 2023 - Elsevier
Colorectal cancer (CRC) is the third most common cause of cancer mortality worldwide.
Approximately 40% of CRC patients are KRAS sequence variation, including KRAS G13D …

[HTML][HTML] RCSB protein data bank: efficient searching and simultaneous access to one million computed structure models alongside the PDB structures enabled by …

S Bittrich, C Bhikadiya, C Bi, H Chao, JM Duarte… - Journal of molecular …, 2023 - Elsevier
Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB
PDB) provides open access to experimentally-determined three-dimensional (3D) structures …

[HTML][HTML] From interaction networks to interfaces, scanning intrinsically disordered regions using AlphaFold2

H Bret, J Gao, DJ Zea, J Andreani, R Guerois - Nature Communications, 2024 - nature.com
The revolution brought about by AlphaFold2 opens promising perspectives to unravel the
complexity of protein-protein interaction networks. The analysis of interaction networks …

MoDAFold: a strategy for predicting the structure of missense mutant protein based on AlphaFold2 and molecular dynamics

L Zheng, S Shi, X Sun, M Lu, Y Liao… - Briefings in …, 2024 - academic.oup.com
Protein structure prediction is a longstanding issue crucial for identifying new drug targets
and providing a mechanistic understanding of protein functions. To enhance the progress in …