Molassembler: Molecular Graph Construction, Modification, and Conformer Generation for Inorganic and Organic Molecules. [PDF]
J Chem Inf Model, 2020 Sobez JG, Reiher M.
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FEBS Open Bio, EarlyView.This pilot study investigates the potential of Generative AI to provide formative feedback to students. ChatGPT was prompted to provide feedback on Year 1 Bioscience essays, which were evaluated against established good feedback practices. GenAI‐authored feedback had useful elements, but was limited in scope. GenAI may have potential to provide instant,
Annabel Court +3 more
wiley +1 more source
QSPR modeling of physicochemical properties of SSRI and SNRI antidepressants using advanced molecular graph descriptors. [PDF]
Sci RepKabeer A +4 more
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Type I interferons modulate autophagy to shape gemcitabine response in pancreatic cancer cells
FEBS Open Bio, EarlyView.Type I interferons differentially modulate autophagy and the response of pancreatic cancer cells to gemcitabine. IFNα2b stimulates autophagic flux and protects cells from gemcitabine‐induced cell death, contributing to chemoresistance. In contrast, IFNβ1a inhibits autophagosome formation and enhances gemcitabine‐induced cell death, resulting in ...
Lucy E. Bonilla +10 more
wiley +1 more source
A Multimodal Representation Learning Framework for Molecular Graph and NMR Spectrum Alignment. [PDF]
Entropy (Basel)Li X, Wang X, Liu ZM, Liu JB, Huang X.
europepmc +1 more source
FEBS Open Bio, EarlyView.During the current opioid crisis, the majority of overdose deaths are attributed to ultra‐potent synthetic opioids, such as fentanyl. While fentanyl exerts its action via opioid receptors, we propose that potassium channels in the brain blood vessels may also sense fentanyl.
Shiwani Thapa +4 more
wiley +1 more source
A Machine Learning Quest to Design Molecular Graph Fingerprints of Organic Chromophores for Adjusting Photoluminescent Quantum Yields. [PDF]
ACS OmegaAljaafreh MJ, Sumrra SH, Noreen S.
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Using fluorescence fluctuation spectroscopy to quantify molecular dynamics within cells
FEBS Open Bio, EarlyView.Microscopy techniques like fluorescence correlation spectroscopy (FCS) and number and brightness analysis (N&B) allow to quantify concentrations, diffusion rates, and oligomerization of fluorescently labeled molecules in the living cell. In this protocol the principles of how to set up these types of experiments are described including calibration ...
Mark A. Hink
wiley +1 more source
MG-DIFF: A novel molecular graph diffusion model for molecular generation and optimization. [PDF]
PLoS OneZhang X, Wang S, Fang Y, Zhang Q.
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Constrained generation of molecular graphs [PDF]
, 2007 Reinhard Laue +3 more
openaire +2 more sources