Results 241 to 250 of about 551,885 (316)

Machine learning-based QSAR and molecular modeling of phytocompounds in <i>Barleria buxifolia L.</i> as a potential aldose reductase inhibitor. [PDF]

Front Bioinform
Dev RR, Lalu AC, Zarin S, Joseph BB, Raju R, Jayanandan A, Thekkan S.   +6 more
europepmc   +1 more source

Preoperative circulating tumor cells integrated with imaging analysis for prognostic evaluation in head and neck squamous cell carcinoma

Molecular Oncology, EarlyView.
Detecting circulating tumor cells (CTCs) in blood before surgery may help predict outcomes in patients with head and neck squamous cell carcinoma (HNSCC). Here, we show when combined with tumor size and lymph node involvement from routine imaging, CTC status identifies high‐risk patients with poorer survival—offering a simple, minimally invasive tool ...
Susanne Flach, Gizem Abaci, Tom Huberty, Axel Lechner, Lukas Käsmann, Jens Ricke, Sophia Stöcklein, Martin Canis, Philipp Baumeister, Marianna Alunni‐Fabbroni   +9 more
wiley   +1 more source

Rescuing Verubecestat: An Integrative Molecular Modeling and Simulation Approach for Designing Next-Generation BACE1 Inhibitors. [PDF]

Int J Mol Sci
Dermawan D, Alotaiq N.
europepmc   +1 more source

Epigenetic silencing of the liver‐specific lncRNA LUNAR promotes liver cancer progression via NOTCH activation

Molecular Oncology, EarlyView.
LUNAR is a liver‐specific long noncoding RNA (lncRNA) that is highly expressed in normal liver but becomes epigenetically silenced in hepatocellular carcinoma through promoter hypermethylation. Loss of LUNAR is associated with NOTCH activation, epithelial–mesenchymal transition, and metastasis, whereas restoring LUNAR restrains metastatic progression ...
Se Ha Jang, Hyung Seok Kim, Geum Ok Baek, Moon Gyeong Yoon, Su In Lee, Jee‐Yeong Jeong, Ji Eun Han, Soon Sun Kim, Jae Youn Cheong, Jung Woo Eun   +9 more
wiley   +1 more source

Molecular Origin of Aneotropy and Related Surface Tension Anomalies in Hydrogenated and Fluorinated Alcohol Mixtures: New Experimental Data and Theoretical Molecular Modeling. [PDF]

Langmuir
Duarte J, Machacaz D, Pires T, Eusébio TM, Morgado P, Vega LF, Filipe EJM.   +6 more
europepmc   +1 more source

Translating whole‐genome doubling into precision medicine in cancer

Molecular Oncology, EarlyView.
Whole‐genome doubling creates a WGD‐positive tumor state characterized by persistent chromosomal instability, karyotypic diversification, and cellular stress. These same biological pressures drive aggressive tumor evolution while exposing therapeutic vulnerabilities, providing a rationale for WGD‐informed precision medicine. Whole‐genome doubling (WGD)
Sejung Lee, Junghyeok Lim, Jinhyuk Bhin
wiley   +1 more source

Molecular Modeling-Based Machine Learning for Accurate Prediction of Gas Diffusivity and Permeability in Metal-Organic Frameworks. [PDF]

ACS Mater Au
Sezgin P, Yüngül FN, Karaca BN, Gulbalkan HC, Keskin S.   +4 more
europepmc   +1 more source

Single‐cell DNA methylation profiling: Technologies, computation, and applications in precision oncology

Molecular Oncology, EarlyView.
Single‐cell DNA methylation (scDNAme) profiling maps epimutational clonal evolution, revealing mechanisms of malignancy and therapeutic resistance across diverse cancer types. By providing a high‐resolution landscape of intratumoral heterogeneity, these technologies empower precise patient stratification, guide the development of enhanced ...
Ik Soo Kim
wiley   +1 more source

Environmental toxicant glyphosate induces cardiotoxicity: New insights from network toxicology, integrated machine learning, molecular modeling and multidimensional bioinformatics analysis. [PDF]

Medicine (Baltimore)
Sun M, Wang Y, Tong R, Yan R, Pu J.
europepmc   +1 more source

Pharmacophoric Investigation of a Natural Product-like Class of Aromatase Inhibitors Using Molecular Modeling. [PDF]

ACS Omega
Held A, Esselman A, Huebner M, Frietas G, Boyson B, Walker M, Miller B.   +6 more
europepmc   +1 more source