Wiley Online Library : Bulletin of the Korean Chemical Society
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Computational basis of TEAD‐3 protein noncovalent inhibition: 3D‐QSAR modeling and molecular dynamics simulation

Abstract The tumor-suppressing phosphorylation cascade is primarily regulated by transcriptional enhanced associate domain (TEAD) transcription factors, and the overexpression of these factors is associated with tumorigenesis and cancer progression. The central pocket of TEAD protein can be targeted by noncovalent inhibitors, and therefore,...

Thu Apr 18, 2024 16:05
Masthead

Bulletin of the Korean Chemical Society, Volume 45, Issue 4, Page 294-295, April 2024.

Tue Apr 16, 2024 15:31
Cover Picture: Metal‐Organic Frameworks as a Fluorescent Probe for Detection of Pathogenic Biomarkers in Human Urine (BKCS 4/2024) Seyeon Jeong, Hoi Ri Moon

The cover picture illustrates metal-organic frameworks (MOFs) being used as fluorescent probes to detect biomarkers in human urine. MOF-based fluorescent probes facilitate the diagnosis of diseases, including pheochromocytoma, toluene exposure, vitamin deficiencies, gout, hyperuricemia, cancers, various body disorders, and teratogenic effects, with...

Tue Apr 16, 2024 15:31
Atomically precise metal nanoclusters for energy conversion

This review examines the performances of atomically precise metal nanoclusters as the electrocatalysts of energy conversion reactions, namely water splitting, fuel cell, and CO2 conversion reactions, focusing on the strategies used to promote catalytic activity and discussing the future perspectives and resolution of the remaining challenges. ...

Sun Apr 7, 2024 15:18
Spectroelectrochemical determination of the conduction band level of mesoporous titanium dioxide semiconductor in diverse reaction media

This study emphasizes the crucial role of proton additives and electron donors in influencing the conduction band energetics (E CB) of mesoporous TiO2 electrodes and aims to determine the extent to which the TiO2 E CB can shift as a result of the adsorption and intercalation of protons on its surface. The findings obtained herein contribute to...

Fri Apr 5, 2024 14:51
Biomolecular phase separation through theoretical and computational microscope

This review covers computational methods to simulate biomolecular phase separation: analytical methods, particle-based simulations, field-theoretic methods, and machine-learning methods. Abstract Biomolecular phase separation is a vital mechanism for orchestrating biomolecules within living cells. This crucial role has spurred an intense pursuit...

Wed Apr 3, 2024 02:06

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