Artificial intelligence-driven drug development against autoimmune diseases

P Moingeon - Trends in pharmacological sciences, 2023 - cell.com
Artificial intelligence (AI)-based predictive models are being used to foster a precision
medicine approach to treat complex chronic diseases such as autoimmune and …

Exploring the role of microbial proteins in controlling environmental pollutants based on molecular simulation

J Wu, J Lv, L Zhao, R Zhao, T Gao, Q Xu, D Liu… - Science of the Total …, 2023 - Elsevier
Molecular simulation has been widely used to study microbial proteins' structural
composition and dynamic properties, such as volatility, flexibility, and stability at the …

HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra‐large …

KI Popov, J Wellnitz, T Maxfield… - Molecular …, 2024 - Wiley Online Library
Recent rapid expansion of make‐on‐demand, purchasable, chemical libraries comprising
dozens of billions or even trillions of molecules has challenged the efficient application of …

[HTML][HTML] Context transcription factors establish cooperative environments and mediate enhancer communication

JF Kribelbauer-Swietek, O Pushkarev… - Nature …, 2024 - pmc.ncbi.nlm.nih.gov
Many enhancers control gene expression by assembling regulatory factor clusters, also
referred to as condensates. This process is vital for facilitating enhancer communication and …

High-throughput profiling of sequence recognition by tyrosine kinases and SH2 domains using bacterial peptide display

A Li, R Voleti, M Lee, D Gagoski, NH Shah - Elife, 2023 - elifesciences.org
Tyrosine kinases and SH2 (phosphotyrosine recognition) domains have binding specificities
that depend on the amino acid sequence surrounding the target (phospho) tyrosine residue …