Results 191 to 200 of about 11,616,863 (296)

MolCryst-MLIPs: A Machine-Learned Interatomic Potentials Database for Molecular Crystals. [PDF]

J Chem Theory Comput
Lahouari A, Ai S, Han J, Hoffstadt J, Höllmer P, Infante C, Jain P, Kadam S, Martirossyan MM, McCune A, Newton H, Paul SJ, Peña Ccoa WJ, Raghoonanan J, Sahu S, Tan O, Vergara A, Rogal J, Tuckerman ME.   +18 more
europepmc   +1 more source

Epigenetic heterogeneity and plasticity in therapy‐induced tumor states through single‐cell multi‐omics

Molecular Oncology, EarlyView.
Single‐cell multi‐omics reveals epigenetic heterogeneity across therapy‐adaptive tumor states, including quiescent/dormant, drug‐tolerant persister, and EMT‐like phenotypes. By linking regulatory features with state‐associated biomarkers, these approaches inform biomarker‐guided therapeutic strategies for evolving tumors.
Hee Jung Kim, Hwiyeong Lee, Jin Hong, Daechan Park   +3 more
wiley   +1 more source

Deep learning directed synthesis of fluid ferroelectric materials.

Mater Horiz
Parton-Barr C, Berrow SR, Gibb CJ, Hobbs J, Jiang W, O'Brien C, Ogle WC, Gleeson HF, Mandle RJ.   +8 more
europepmc   +1 more source

PAK1 activation drives divergent resistance mechanisms to aromatase inhibition and tamoxifen in a luminal: A breast cancer model

Molecular Oncology, EarlyView.
Breast cancer remains a major cause of cancer death in women, frequently developing endocrine therapy resistance. This study demonstrates that upregulated p21‐activated kinase 1 (PAK1) activity drives resistance to tamoxifen and long‐term estrogen deprivation in ER+ breast cancer models.
Luisa Schwarzmüller, Janina Müller, Efstathios‐Iason Vlachavas, Lukas Beumers, Lena Fleischhacker, Sara Burmester, Angelika Wörner, Sabine Karolus, Dominic Helm, Cindy Körner, Stefan Wiemann   +10 more
wiley   +1 more source

A Site-Aware Representation Learning Framework For Unified Molecular Interaction Modeling and Generative Design. [PDF]

Adv Sci (Weinh)
Luo G, Zhang Q, Wang C, Yi Z, Wang AJ, Tang J, Li M.   +6 more
europepmc   +1 more source

Spatial and single‐nuclei transcriptomics reveals idiosyncratic and generic patterns in papillary and anaplastic thyroid cancers

Molecular Oncology, EarlyView.
Matched spatial transcriptomics and single‐nuclei RNA‐seq were generated for anaplastic and BRAFV600E papillary thyroid cancers revealing generic and tumor‐specific states occurring in cancer cells and in the tumor microenvironment. In this context, cancer dedifferentiation mirrored organoid maturation through ordered thyroid marker gain/loss ...
Adrien Tourneur, Joel Rodrigues Vitória, Manuel Saiselet, Ligia Craciun, Denis Larsimont, Anne Lefort, Frédérick Libert, Carine Maenhaut, Sabine Costagliola, Maxime Tarabichi, Mirian Romitti, Vincent Detours   +11 more
wiley   +1 more source

Interpretable QSPR Modeling of Bipolar Disorder Drugs Using Topological Indices and Machine Learning Regression. [PDF]

ACS Omega
Çolakoğlu Ö, Benjamin AJ.
europepmc   +1 more source

Inhibition of cyclin‐dependent kinases 12/13 using CT7439 as a treatment for colorectal cancer with CDK12 upregulation

Molecular Oncology, EarlyView.
The proposed mechanism of action for the CDK12/13 inhibitor and cyclin K degrader, CT7439. CDK12/13 inhibition interrupts transcription elongation, leading to increased DNA damage that results in cell death. This agent is a potentially novel treatment option for patients with colorectal cancer. Created in BioRender. Cyclin‐dependent kinase (CDK) 12 and
Wylie K. Watlington, Divya L. Dayanidhi, Mohammad Zokaasadi, John B. Mantyh, Pelumi D. Olawuni, Gabrielle Rupprecht, Jeremy M. Force, Shannon McCall, Ashwani K. Bahl, David S. Hsu, Jason A. Somarelli   +10 more
wiley   +1 more source

Molecular models of photoresponsiveness

, 1983
Advanced Study Institute on the Molecular Models of Photoresponsiveness 1982 San Miniato, Montagnoli, Giorgio   +1 more
core  

Author Correction: High expression of Rex-orf-I and HBZ mRNAs and bronchiectasis in lung of HTLV-1A/C infected macaques

Nature Communications
Sarkis Sarkis, Anna Gutowska, Mohammad Arif Rahman, Luca Schifanella, Katherine C. Goldfarbmuren, Massimiliano Bissa, Ramona Moles, Christina Ramirez, Elijah F. Edmondson, Andrew Warner, Melvin Doster, Isabela Silva de Castro, Robyn Washington-Parks, Sophia Brown, Joshua Kramer, Matthew W. Breed, Kristin E. Killoran, Yogita Jethmalani, Leonid Serebryannyy, Damian FJ. Purcell, Cynthia A. Pise-Masison, Genoveffa Franchini   +21 more
doaj   +1 more source