Results 101 to 110 of about 4,431,399 (381)
Molecular Oncology, EarlyView.Chronic TGF‐β exposure drives epithelial HCC cells from a senescent state to a TGF‐β resistant mesenchymal phenotype. This transition is characterized by the loss of Smad3‐mediated signaling, escape from senescence, enhanced invasiveness and metastatic potential, and upregulation of key resistance modulators such as MARK1 and GRM8, ultimately promoting
Minenur Kalyoncu +11 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
Molecular Oncology, EarlyView.This article advocates integrating temporal dynamics into cancer research. Rather than relying on static snapshots, researchers should increasingly consider adopting dynamic methods—such as live imaging, temporal omics, and liquid biopsies—to track how tumors evolve over time.
Gautier Follain +3 more
wiley +1 more source
Quantum Information and Computation for Chemistry [PDF]
arXiv, 2017 The NSF Workshop in Quantum Information and Computation for Chemistry assembled experts from directly quantum-oriented fields such as algorithms, chemistry, machine learning, optics, simulation, and metrology, as well as experts in related fields such as condensed matter physics, biochemistry, physical chemistry, inorganic and organic chemistry, and ...
arxiv
Computational solution of chemistry problems [PDF]
AB initio quantum chemical techniques have been used to investigate weakly bound complexes of H2O and SO2. An energy gradient program was used to locate stable structures for the H2O, SO2 complexes, and SCF calculations were carried out to determine the ...
Ake, Robert L.
core +1 more source
Need Analysis of Basic Chemistry Practicum Based on Computation [PDF]
, 2022 Computational chemistry is a branch of chemistry which is the theoretical translated into computer programs to calculate the properties of molecules and their changes.
Hasby, Hasby, Mustika, Dona
core +1 more source
Understanding and measuring mechanical signals in the tumor stroma
FEBS Open Bio, EarlyView.This review discusses cancer‐associated fibroblast subtypes and their functions, particularly in relation to extracellular matrix production, as well as the development of 3D models to study tumor stroma mechanics in vitro. Several quantitative techniques to measure tissue mechanical properties are also described, to emphasize the diagnostic and ...
Fàtima de la Jara Ortiz +3 more
wiley +1 more source
Evaluation of synaptotagmin‐1 action models by all‐atom molecular dynamics simulations
FEBS Open Bio, EarlyView.We used molecular dynamics simulations to test models proposing that synaptotagmin‐1 facilitates membrane fusion by perturbing lipid bilayers, inducing membrane curvature and/or bridging membranes. The simulations show that synaptotagmin‐1 C2‐domains placed near the site of fusion hinder the ability of SNARE complexes to bring the membranes together ...
Josep Rizo +2 more
wiley +1 more source
Frontiers in Plant Science, 2019 This review describes the application of computational chemistry to plant secondary metabolism, focusing on the biosynthetic mechanisms of terpene/terpenoid, alkaloid, flavonoid, and lignin as representative examples.
Hajime Sato +4 more
doaj +1 more source
Microscopic mechanism of protein cryopreservation in an aqueous solution with trehalose [PDF]
, 2013 In order to investigate the cryoprotective mechanism of trehalose on proteins, we use molecular dynamics computer simulations to study the microscopic dynamics of water upon cooling in an aqueous solution of lysozyme and trehalose.
Corradini, Dario +3 more
core +1 more source