[HTML][HTML] Revolutionizing medicinal chemistry: the application of artificial intelligence (AI) in early drug discovery
Artificial intelligence (AI) has permeated various sectors, including the pharmaceutical
industry and research, where it has been utilized to efficiently identify new chemical entities …
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 …
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 …
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 …
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) …
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
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 …
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 …
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 …
PDB) provides open access to experimentally-determined three-dimensional (3D) structures …
[HTML][HTML] From interaction networks to interfaces, scanning intrinsically disordered regions using AlphaFold2
The revolution brought about by AlphaFold2 opens promising perspectives to unravel the
complexity of protein-protein interaction networks. The analysis of interaction networks …
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
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 …
and providing a mechanistic understanding of protein functions. To enhance the progress in …