Results 151 to 160 of about 921,873 (354)

A Chemist's Guide to Density Functional Theory

, 2000
W. Koch, M. C. Holthausen
semanticscholar   +1 more source

Single‐cell transcriptomics redefines focal neuroendocrine differentiation as a distinct prostate cancer pathology

Molecular Oncology, EarlyView.
Single‐cell transcriptomics of prostate cancer patient‐derived xenografts reveals distinct features of neuroendocrine (NE) subtypes. Tumours with focal NE differentiation (NED) share transcriptional programmes with adenocarcinoma, differing from large and small cell neuroendocrine prostate cancer (NEPC). Our work defines the molecular landscape of NEPC,
Rosalia Quezada Urban, Shivakumar Keerthikumar, Ashlee Clark, Hong Wang, Belinda Phipson, Andrew Bakshi, Andrew Ryan, Heather Thorne, Renea A. Taylor, Mitchell G. Lawrence, Gail P. Risbridger, Roxanne Toivanen, David L. Goode   +12 more
wiley   +1 more source

Decrypting cancer's spatial code: from single cells to tissue niches

Molecular Oncology, EarlyView.
Spatial transcriptomics maps gene activity across tissues, offering powerful insights into how cancer cells are organised, switch states and interact with their surroundings. This review outlines emerging computational, artificial intelligence (AI) and geospatial approaches to define cell states, uncover tumour niches and integrate spatial data with ...
Cenk Celik, Shi Pan, Eloise Withnell, Hou Wang Lam, Maria Secrier   +4 more
wiley   +1 more source

Neural Density Functional Theory of Liquid-Gas Phase Coexistence

Physical Review X
We use supervised machine learning together with the concepts of classical density functional theory to investigate the effects of interparticle attraction on the pair structure, thermodynamics, bulk liquid-gas coexistence, and associated interfacial ...
Florian Sammüller, Matthias Schmidt, Robert Evans   +2 more
doaj   +1 more source

Ab‐initio simulations of materials using VASP: Density‐functional theory and beyond

Journal of Computational Chemistry, 2008
J. Hafner
semanticscholar   +1 more source

Microglia limit brain tumor development by restricting tumor cell proliferation and inducing T‐cell immunity

Molecular Oncology, EarlyView.
Microglia (BV2) and IL‐4‐treated BMDMs promote astrocytoma clustering and inhibit tumor growth, not shown in other macrophage cells. In vivo, microglial co‐implantation enhances CD8+ T cell infiltration, elevates Granzyme B, lowers circulating MDSCs, and extends survival only in immune‐competent mice, but not in immune‐deficient mice.
Tzu‐Chieh Sun, Ching‐Fang Yu, Sheng‐Yan Wu, Wei‐Chung Cheng, Chi‐Shiun Chiang, Fang‐Hsin Chen   +5 more
wiley   +1 more source

Application of time-dependent density-functional theory to the dielectric function of various nonmetallic crystals [PDF]

, 2000
F. Kootstra, P. L. de Boeij, J. G. Snijders   +2 more
openalex   +1 more source

SensRORing cholesterol to drive protumoral myelopoiesis

Molecular Oncology, EarlyView.
Bleve et al. uncover a cholesterol‐driven immune evasion pathway, where RORγ‐dependent myelopoiesis shapes tumor immunosuppression. Targeting RORγ and PCSK9 emerges as a strategy to boost cancer immunotherapy. Protumoral myelopoiesis is a determinant of immunoevasion and tumor spread in many malignancies.
Sara Gennari, Luigi Nezi, Teresa Manzo
wiley   +1 more source

Magnons in real materials from density-functional theory [PDF]

, 2000
Ralph Gebauer, Stefano Baroni
openalex   +1 more source

CD9‐association with PIP2 areas is regulated by a CD9 salt bridge

FEBS Open Bio, EarlyView.
The tetraspanin CD9 has an intracellular salt bridge. If CD9 opens, open‐CD9 moves from PIP2‐rich areas to regions populated by its interaction partner EWI‐2. Hence, the state of the salt bridge regulates the distribution of CD9 and by this CD9‐EWI‐2 complex formation.
Yahya Homsi, Sara C. Konopka, Thorsten Lang   +2 more
wiley   +1 more source