Results 21 to 30 of about 611,383 (325)
Advanced Engineering Materials, EarlyView., 2023 A novel method for tracking structural changes in gels using widely accessible microcomputed tomography is presented and validated for various hydro‐, alco‐, and aerogels. The core idea of the method is to track positions of micrometer‐sized tracer particles entrapped in the gel and relate them to the density of the gel network.
Anja Hajnal +3 more
wiley +1 more source
Autonomy and Automation. Computational modeling, reduction, and explanation in quantum chemistry [PDF]
, 2014 This paper discusses how computational modeling combines the autonomy of models with the automation of computational procedures. In particular, the case of ab initio methods in quantum chemistry will be investigated to draw two lessons from the analysis ...
Lenhard, Johannes
core +1 more source
N-representability is QMA-complete [PDF]
, 2006 We study the computational complexity of the N-representability problem in quantum chemistry. We show that this problem is QMA-complete, which is the quantum generalization of NP-complete.
Christandl, M. +2 more
core +3 more sources
The power of microRNA regulation—insights into immunity and metabolism
FEBS Letters, EarlyView.MicroRNAs are emerging as crucial regulators at the intersection of metabolism and immunity. This review examines how miRNAs coordinate glucose and lipid metabolism while simultaneously modulating T‐cell development and immune responses. Moreover, it highlights how cutting‐edge artificial intelligence applications can identify miRNA biomarkers ...
Stefania Oliveto +2 more
wiley +1 more source
Transuranic Computational Chemistry
Chemistry – A European Journal, 2017 AbstractRecent developments in the chemistry of the transuranic elements are surveyed, with particular emphasis on computational contributions. Examples are drawn from molecular coordination and organometallic chemistry, and from the study of extended solid systems.
openaire +5 more sources
Identification of novel small molecule inhibitors of ETS transcription factors
FEBS Letters, EarlyView.ETS transcription factors play an essential role in tumourigenesis and are indispensable for sprouting angiogenesis, a hallmark of cancer, which fuels tumour expansion and dissemination. Thus, targeting ETS transcription factor function could represent an effective, multifaceted strategy to block tumour growth. The evolutionarily conserved E‐Twenty‐Six
Shaima Abdalla +9 more
wiley +1 more source
Education Sciences, 2023 The use of technology in education has experienced significant growth in recent years. In this regard, computational chemistry is considered a dynamic element due to the constant advances in computational methods in chemistry, making it an emerging ...
José Hernández-Ramos +2 more
doaj +1 more source
FEBS Letters, EarlyView.Heart failure with preserved ejection fraction (HFpEF) accounts for half of the heart failure cases. It is characterised by microvascular dysfunction, associated with reduced pericyte coverage and diminished STAT3 expression in pericytes. Loss of STAT3 impairs pericyte adhesion, promotes senescence, and activates a pro‐fibrotic gene program.
Leah Rebecca Vanicek +15 more
wiley +1 more source
Efficient Tree Tensor Network States (TTNS) for Quantum Chemistry: Generalizations of the Density Matrix Renormalization Group Algorithm [PDF]
, 2013 We investigate tree tensor network states for quantum chemistry. Tree tensor network states represent one of the simplest generalizations of matrix product states and the density matrix renormalization group.
Chan, Garnet Kin-Lic, Nakatani, Naoki
core +2 more sources
Computational Chemistry in Asia [PDF]
Journal of Chemical Information and Modeling, 2021 Guo-Wei Wei +3 more
openaire +3 more sources