Results 261 to 270 of about 2,795,372 (389)

Two-dimensional QSAR-driven virtual screening for potential therapeutics against <i>Trypanosoma cruzi</i>. [PDF]

Front Chem
Maliyakkal N, Kumar S, Bhowmik R, Vishwakarma HC, Yadav P, Mathew B.   +5 more
europepmc   +1 more source

Docking, virtual high throughput screening and in silico fragment‐based drug design [PDF]

, 2009
Vincent Zoete, Aurélien Grosdidier, Olivier Michielin   +2 more
openalex   +1 more source

ATF3 Deficiency Exacerbates Ageing‐Induced Atherosclerosis and Clinical Intervention Strategy

Advanced Science, EarlyView.
Targeting ATF3 with terazosin to against VSMC Senescence and atherosclerosis. TZ reduces the binding affinity of YTHDF2 to Atf3 mRNA, while enhancing mRNA stability. ATF3 promotes Atg7 transcription, enhancing autophagy. ATG7 binds to ATF3 in the cytoplasm, facilitating ATF3 translocation to the nucleus and establishing positive feedback. By modulating
Hao Nie, Tianyi Ji, Zixin Wan, Jie Huang, Han Li, Lingjiao Zou, Zhen Yang, Jiarui Li, Yuqi Guan, Lei Ruan, Jinhua Yan, Cuntai Zhang   +11 more
wiley   +1 more source

Integrating Machine Learning-Based Pose Sampling with Established Scoring Functions for Virtual Screening. [PDF]

J Chem Inf Model
Vu TNL, Fooladi H, Kirchmair J.
europepmc   +1 more source

Machine Learning‐Enhanced Nanoparticle Design for Precision Cancer Drug Delivery

Advanced Science, EarlyView.
Machine Learning (ML) is revolutionizing cancer nanomedicine by optimizing nanoparticle (NP) design and drug delivery. This review summarizes ML applications across all stages of NP drug delivery, along with a discussion of ongoing challenges and future directions.
Qingquan Wang, Yujian Liu, Chenchen Li, Bin Xu, Shidang Xu, Bin Liu   +5 more
wiley   +1 more source

RNAmigos2: accelerated structure-based RNA virtual screening with deep graph learning. [PDF]

Nat Commun
Carvajal-Patiño JG, Mallet V, Becerra D, Niño Vasquez LF, Oliver C, Waldispühl J.   +5 more
europepmc   +1 more source

Automatic clustering of docking poses in virtual screening process using self-organizing map [PDF]

, 2009
Guillaume Bouvier, Nathalie Evrard‐Todeschi, Jean‐Pierre Girault, Gildas Bertho   +3 more
openalex   +1 more source

Interfacial Polarization Switching in Al0.92Sc0.08N/GaN Heterostructures Grown by Sputter Epitaxy

Advanced Science, EarlyView.
Understanding the structural and electronic interface characteristics of ferroelectric Al1‐xScxN/GaN heterostructures is crucial for the development of novel transistor structures with integrated ferroelectric functionality. In this article, Niklas Wolff and co‐workers report on the interfacial switching mechanisms and reveal atomic and electronic ...
Niklas Wolff, Georg Schönweger, Md. Redwanul Islam, Ziming Ding, Christian Kübel, Simon Fichtner, Lorenz Kienle   +6 more
wiley   +1 more source

Structure-based virtual screening, molecular docking, and MD simulation studies: An in-silico approach for identifying potential MBL inhibitors. [PDF]

PLoS One
Noumi E, Snoussi M, Bouali N, Alshammari MM, Altayb HN, Afzal M, De Feo V.   +6 more
europepmc   +1 more source

Stabilizers of the Max Homodimer Identified in Virtual Ligand Screening Inhibit Myc Function [PDF]

, 2009
Hao Jiang, Kristen E. Bower, Albert E. Beuscher, Bin Zhou, Andrey A. Bobkov, Arthur J. Olson, Peter K. Vogt   +6 more
openalex   +1 more source