Results 11 to 20 of about 192,980 (275)
Computational Chemistry for Kids
CHIMIA, 2000 This article aims to show that computational chemistry is not exclusively restricted to molecular energy and structure calculations but also includes chemical process control and reaction simulation.
Olivier Naef
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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
Mechanisms and kinetic assays of aminoacyl‐tRNA synthetases
FEBS Letters, EarlyView.Accurate protein synthesis is crucial for life. The key players are aminoacyl‐tRNA synthetases (AARSs), which read the genetic code by pairing cognate amino acids and tRNAs. AARSs establish high amino acid selectivity by employing physicochemical limits in molecular recognition.
Igor Zivkovic +2 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
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Single‐cell insights into the role of T cells in B‐cell malignancies
FEBS Letters, EarlyView.Single‐cell technologies have transformed our understanding of T cell–tumor cell interactions in B‐cell malignancies, revealing new T‐cell subsets, functional states, and immune evasion mechanisms. This Review synthesizes these findings, highlighting the roles of T cells in pathogenesis, progression, and therapy response, and underscoring their ...
Laura Llaó‐Cid
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Computational Chemistry in Asia [PDF]
Journal of Chemical Information and Modeling, 2021 Guo-Wei Wei +3 more
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FEBS Letters, EarlyView.Extracellular vesicles (EVs) mediate intercellular communication in tumor immune microenvironments. However, their role in B‐cell malignancies remains poorly defined, owing to biological complexity and technical challenges in EV isolation and analysis.
Daniel Bachurski, Michael Hallek
wiley +1 more source
From omics to AI—mapping the pathogenic pathways in type 2 diabetes
FEBS Letters, EarlyView.Integrating multi‐omics data with AI‐based modelling (unsupervised and supervised machine learning) identify optimal patient clusters, informing AI‐driven accurate risk stratification. Digital twins simulate individual trajectories in real time, guiding precision medicine by matching patients to targeted therapies.
Siobhán O'Sullivan +2 more
wiley +1 more source