Results 81 to 90 of about 11,465,696 (296)

Computer-aided molecular design : theory and applications /

open access: yes, 1996
The computer-aided design of novel molecular systems has undoubtedly reached the stage of a mature discipline offering a broad range of tools available to virtually any chemist.
Weber, Jacques., Doucet, Jean-Pierre.
core  

Computer Aided Aroma Design. I. Molecular knowledge framework [PDF]

open access: yes, 2008
Computer Aided Aroma Design (CAAD) is likely to become a hot issue as the REACH EC document targets many aroma compounds to require substitution. The two crucial steps in CAMD are the generation of candidate molecules and the estimation of properties ...
Nacef, Salif   +5 more
core   +1 more source

Exploratory Landscape Validation for Bayesian Optimization Algorithms

open access: yesMathematics
Bayesian optimization algorithms are widely used for solving problems with a high computational complexity in terms of objective function evaluation. The efficiency of Bayesian optimization is strongly dependent on the quality of the surrogate models of ...
Taleh Agasiev, Anatoly Karpenko
doaj   +1 more source

Translophagy—A potential link between autophagy impairment and translational errors

open access: yesFEBS Letters, EarlyView.
Neurodegenerative diseases are characterised by the accumulation of abnormal proteins and protein aggregates, but their origin often remains unknown. We propose that selective autophagy removes damaged protein‐making machinery, preventing errors during protein synthesis.
Mykola V. Korolchuk   +11 more
wiley   +1 more source

Joint Center Estimation Using Single-Frame Optimization: Part 1: Numerical Simulation

open access: yesSensors, 2018
The biomechanical models used to refine and stabilize motion capture processes are almost invariably driven by joint center estimates, and any errors in joint center calculation carry over and can be compounded when calculating joint kinematics ...
Eric Frick, Salam Rahmatalla
doaj   +1 more source

The Shewanella oneidensis Fic enzyme SoFic targets the switch‐I region of EF‐Tu for AMPylation

open access: yesFEBS Letters, EarlyView.
Fic enzymes mediate diverse post‐translational modifications across all domains of life, including AMPylation. Prokaryotic EF‐Tu can be AMPylated and deAMPylated by the conserved Fic enzyme SoFic. Structural and biochemical approaches were used to characterize the effect of AMPylation on EF‐Tu, SoFic's enzymatic activities, and the enzyme‐target ...
Svenja Runge   +6 more
wiley   +1 more source

Dual modality prompt learning for visual question-grounded answering in robotic surgery

open access: yesVisual Computing for Industry, Biomedicine, and Art
With recent advancements in robotic surgery, notable strides have been made in visual question answering (VQA). Existing VQA systems typically generate textual answers to questions but fail to indicate the location of the relevant content within the ...
Yue Zhang   +5 more
doaj   +1 more source

Tumour–host interactions in Drosophila: mechanisms in the tumour micro‐ and macroenvironment

open access: yesMolecular Oncology, EarlyView.
This review examines how tumour–host crosstalk takes place at multiple levels of biological organisation, from local cell competition and immune crosstalk to organism‐wide metabolic and physiological collapse. Here, we integrate findings from Drosophila melanogaster studies that reveal conserved mechanisms through which tumours hijack host systems to ...
José Teles‐Reis, Tor Erik Rusten
wiley   +1 more source

19th European Symposium on Computer Aided Process Engineering /

open access: yes, 2009
The 19th European Symposium on Computer Aided Process Engineering contains papers presented at the 19th European Symposium of Computer Aided Process Engineering (ESCAPE 19) held in Cracow, Poland, June 14-17, 2009. The ESCAPE series serves as a forum for
Thullie, Jan.   +2 more
core  

Circular RNA expression landscapes in myelodysplastic neoplasms: Associations with mutational signatures and disease progression

open access: yesMolecular Oncology, EarlyView.
In this explorative study, the abundance of circular RNA molecules in bone marrow stem cells was found to be elevated in patients with high‐risk myelodysplastic neoplasms, and to be associated with an increased risk of progression to acute myeloid leukemia.
Eileen Wedge   +17 more
wiley   +1 more source

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