Results 71 to 80 of about 613,456 (310)
Journal of Cheminformatics, 2020 In the past two decades a lot of different formats for molecules and reactions have been created. These formats were mostly developed for the purposes of identifiers, representation, classification, analysis and data exchange.
Victorien Delannée, Marc C. Nicklaus
doaj +1 more source
Computer aided design, computer aided manufacture and other computer aids in prosthetics and orthotics [PDF]
Prosthetics & Orthotics International, 1985 (1985). Computer aided design, computer aided manufacture and other computer aids in prosthetics and orthotics. Prosthetics and Orthotics International: Vol. 9, No. 1, pp. 3-11.
openaire +2 more sources
FEBS Letters, EarlyView.In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai +9 more
wiley +1 more source
Semi-Implicit Multistep Extrapolation ODE Solvers
Mathematics, 2020 Multistep methods for the numerical solution of ordinary differential equations are an important class of applied mathematical techniques. This paper is motivated by recently reported advances in semi-implicit numerical integration methods, multistep and
Denis Butusov +4 more
doaj +1 more source
Tau acetylation at K331 has limited impact on tau pathology in vivo
FEBS Letters, EarlyView.We mapped tau post‐translational modifications in humanized MAPT knock‐in mice and in amyloid‐bearing double knock‐in mice. Acetylation within the repeat domain, particularly around K331, showed modest increases under amyloid pathology. To test functional relevance, we generated MAPTK331Q knock‐in mice.
Shoko Hashimoto +3 more
wiley +1 more source
Small Molecule Targeting of Protein–Protein Interactions through Allosteric Modulation of Dynamics
Molecules, 2015 The protein–protein interaction (PPI) target class is particularly challenging, but offers potential for “first in class” therapies. Most known PPI small molecules are orthosteric inhibitors but many PPI sites may be fundamentally intractable to this ...
Benjamin P. Cossins +1 more
doaj +1 more source
Modeling and Analysis of Power Processing Systems (MAPPS). Volume 1: Technical report [PDF]
Computer aided design and analysis techniques were applied to power processing equipment. Topics covered include: (1) discrete time domain analysis of switching regulators for performance analysis; (2) design optimization of power converters using ...
Carter, R. A. +5 more
core +1 more source
Structural insights into an engineered feruloyl esterase with improved MHET degrading properties
FEBS Letters, EarlyView.A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa +5 more
wiley +1 more source
Gut microbiome and aging—A dynamic interplay of microbes, metabolites, and the immune system
FEBS Letters, EarlyView.Age‐dependent shifts in microbial communities engender shifts in microbial metabolite profiles. These in turn drive shifts in barrier surface permeability of the gut and brain and induce immune activation. When paired with preexisting age‐related chronic inflammation this increases the risk of neuroinflammation and neurodegenerative diseases.
Aaron Mehl, Eran Blacher
wiley +1 more source
FEBS Letters, EarlyView.This study reveals a unique active site enriched in methionine residues and demonstrates that these residues play a critical role by stabilizing carbocation intermediates through novel sulfur–cation interactions. Structure‐guided mutagenesis further revealed variants with significantly altered product profiles, enhancing pseudopterosin formation. These
Marion Ringel +13 more
wiley +1 more source