Results 131 to 140 of about 317,795 (294)

Small molecule autoencoders: architecture engineering to optimize latent space utility and sustainability

open access: yesJournal of Cheminformatics
Autoencoders are frequently used to embed molecules for training of downstream deep learning models. However, evaluation of the chemical information quality in the latent spaces is lacking and the model architectures are often arbitrarily chosen ...
Marie Oestreich   +2 more
doaj   +1 more source

Predictors of response and rational combinations for the novel MCL‐1 inhibitor MIK665 in acute myeloid leukemia

open access: yesMolecular Oncology, EarlyView.
This study characterizes the responses of primary acute myeloid leukemia (AML) patient samples to the MCL‐1 inhibitor MIK665. The results revealed that monocytic differentiation is associated with MIK665 sensitivity. Conversely, elevated ABCB1 expression is a potential biomarker of resistance to the treatment, which can be overcome by the combination ...
Joseph Saad   +17 more
wiley   +1 more source

2D-dwell-time analysis with simulations of ion-channel gating using high-performance computing. [PDF]

open access: yesBiophys J, 2023
Oikonomou E   +6 more
europepmc   +1 more source

Resilience and fault tolerance in high-performance computing for numerical weather and climate prediction [PDF]

open access: bronze, 2021
Tommaso Benacchio   +10 more
openalex   +1 more source

Aggressive prostate cancer is associated with pericyte dysfunction

open access: yesMolecular Oncology, EarlyView.
Tumor‐produced TGF‐β drives pericyte dysfunction in prostate cancer. This dysfunction is characterized by downregulation of some canonical pericyte markers (i.e., DES, CSPG4, and ACTA2) while maintaining the expression of others (i.e., PDGFRB, NOTCH3, and RGS5).
Anabel Martinez‐Romero   +11 more
wiley   +1 more source

The COVID-19 High-Performance Computing Consortium. [PDF]

open access: yesComput Sci Eng, 2022
Brase J   +7 more
europepmc   +1 more source

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