Results 61 to 70 of about 3,429,176 (324)

Computational chemistry on parallel computers [PDF]

, 1994
The recent successful adaptation of mainline computational chemistry codes to parallel computers introduces a new era of cost-effective, computer-intensive chemistry applications and paves the way for future applications on massively parallel centralized computers being developed under the High Performance Computer and Communications Initiative ...
Harrison, R. J., Shepard, R., Wagner, A. F.   +2 more
openaire   +3 more sources

Circulating tumor DNA monitoring and blood tumor mutational burden in patients with metastatic solid tumors treated with atezolizumab

Molecular Oncology, EarlyView.
In patients treated with atezolizumab as a part of the MyPathway (NCT02091141) trial, pre‐treatment ctDNA tumor fraction at high levels was associated with poor outcomes (radiographic response, progression‐free survival, and overall survival) but better sensitivity for blood tumor mutational burden (bTMB).
Charles Swanton, Russell W. Madison, Candice Francheska B. Tambaoan, Funda Meric‐Bernstam, Christopher J. Sweeney, Razelle Kurzrock, Howard A. Burris III, David R. Spigel, Hanna Tukachinsky, Jason Hughes, Julia Malato, Bongin Yoo, Tania Szado, Cheryl Schwab, Lincoln W. Pasquina, Amaya Gasco, Katja Schulze, Claire F. Friedman   +17 more
wiley   +1 more source

Computational Chemistry Approach to Space Chemistry [PDF]

Symposium - International Astronomical Union, 1992
This review paper presents the results of state of the art Quantum Chemistry calculations in the field of Astrochemistry. It provides selected examples to illustrate the possible contribution of molecular orbital theories to solving a number of problems of astrophysical interest ranging from identification of new molecules to IR emission analysis and ...
openaire   +2 more sources

Cytomegalovirus infection is common in prostate cancer and antiviral therapies inhibit progression in disease models

Molecular Oncology, EarlyView.
Human cytomegalovirus infection is common in normal prostate epithelium, prostate tumor tissue, and prostate cancer cell lines. CMV promotes cell survival, proliferation, and androgen receptor signaling. Anti‐CMV pharmaceutical compounds in clinical use inhibited cell expansion in prostate cancer models in vitro and in vivo, motivating investigation ...
Johanna Classon, Moa Stenudd, Margherita Zamboni, Kanar Alkass, Carl‐Johan Eriksson, Lars Pedersen, Alrik Schörling, Anna Thoss, Anders Bergh, Pernilla Wikström, Hans‐Olov Adami, Henrik Toft Sørensen, Henrik Druid, Jonas Frisén   +13 more
wiley   +1 more source

Machine learning for identifying liver and pancreas cancers through comprehensive serum glycopeptide spectra analysis: a case‐control study

Molecular Oncology, EarlyView.
This study presents a novel AI‐based diagnostic approach—comprehensive serum glycopeptide spectra analysis (CSGSA)—that integrates tumor markers and enriched glycopeptides from serum. Using a neural network model, this method accurately distinguishes liver and pancreatic cancers from healthy individuals.
Motoyuki Kohjima, Yuko Takami, Ken Kawabe, Kazuhiro Tanabe, Chihiro Hayashi, Mikio Mikami, Tetsuya Kusumoto   +6 more
wiley   +1 more source

Comprehensive profiling of lncRNAs and mRNAs enriched in small extracellular vesicles for early noninvasive detection of colorectal cancer: diagnostic panel assembly and extensive validation

Molecular Oncology, EarlyView.
Small extracellular vesicles are a promising source of diagnostic molecules. We conducted a comprehensive study, including transcriptome profiling and RT‐qPCR validation on large cohorts of samples. Diagnostic panels enabling sensitive detection of colorectal cancer and precancerous lesions were established. Some molecules were differentially expressed
Petra Vychytilova‐Faltejskova, Marketa Pavlikova, Lucie Pifkova, Robin Jugas, Tana Machackova, Lenka Radova, Milana Sachlova, Renata Bartosova, Tetiana Samoilenko, Zuzana Feckova, Jana Orlickova, Erika Slamova, Elleni Ponechal Michu, Dagmar Al Tukmachi, Michaela Ruckova, Martina Vodinska, Jan Kotoucek, Tina Catela Ivkovic, Marie Boudna, Lucia Bohovicova, Teodor Stanek, Jana Halamkova, Martin Svoboda, Vladimir Prochazka, Tomas Grolich, Zdenek Kala, Ondrej Slaby   +26 more
wiley   +1 more source

Computational Insights into Industrial Chemistry

Computation, 2020
This brief Editorial is dedicated to announcing the Special Issue “Computational Insights into Industrial Chemistry”. The Special Issue covers the most recent progress in the rapidly growing field of computational chemistry, and the application of ...
Alexander S. Novikov
doaj   +1 more source

Pericytes change function depending on glioblastoma vicinity: emphasis on immune regulation

Molecular Oncology, EarlyView.
Pericytes alter their transcriptome depending on their proximity to the tumor core. In the tumor core, pericytes display a more active state with higher communication strength but with lower immune activation potential and a shift toward extracellular matrix production.
Carolina Buizza, Robert Carlsson, Coralie Gamper, Gayatri Chitale, Johan Bengzon, Gesine Paul   +5 more
wiley   +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