Results 61 to 70 of about 3,260,181 (300)
Calpain small subunit homodimerization is robust and calcium‐independent
FEBS Letters, EarlyView.Calpains dimerize via penta‐EF‐hand (PEF) domains. Using single‐molecule force spectroscopy, we measured the strength and kinetics of PEF–PEF homodimer binding. The interaction is robust, shows a transient conformational step before dissociation, and remains largely insensitive to Ca2+.
Nesha May O. Andoy +4 more
wiley +1 more source
Reliable algorithms for computing minimal dynamic covers for descriptor systems [PDF]
, 2004 Minimal dimension dynamic covers play an important role in solving the structural synthesis problems of minimum order functional observers or fault detectors, or in computing minimal order inverses or minimal degree solutions of rational equations.
A. Varga, Varga, Andras
core
, 2017 In local change, the operation ∘ is specific for the original belief set K. Formally it is a function that takes us from a descriptor Ψ to an element K∘ Ψ of the outcome set X (the set of belief sets that are potential outcomes of belief change). It only
Sven Ove Hansson, Hansson, Sven Ove,
core +1 more source
Supervised Machine Learning-Graph Theory Approach For Analyzing the Electronic Properties of Alkanes
Journal of the Turkish Chemical Society, Section A: ChemistryThe combination of advanced scientific computing and quantum chemistry improves the existing approach in all chemistry and material science fields. Machine learning has revolutionized numerous disciplines within chemistry and material science.
Nurul Aimi Zakaria +2 more
doaj +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
Shape-based two dimensional descriptor for searching molecular database [PDF]
, 2014 Biological functions of compounds can be predicted from similarity of their chemical structures to discover new compounds for drug development. Molecular similarity can also be used to infer unknown functions and side effects of existing drugs.
Hamza, Hentabli
core
Chemically Intuitive Descriptors for Predicting CH Borylation Regioselectivity
ChemistryEuropeWe present a robust machine‐learning (ML) framework incorporating chemically intuitive descriptors to predict regioselectivity in CH borylation reactions.
Rasmus M. Borup +2 more
doaj +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
A numerically reliable approach to robust pole assignment for descriptor systems [PDF]
, 2003 We propose a general, numerically reliable computational approach to solve the pole and eigenstructure assignment problem for descriptor systems. In the multi-input case, the proposed approach addresses the intrinsic non-uniqueness of the pole assignment
A. Varga, Varga, Andras
core
Stereo Signature Molecular Descriptor
, 2016 We present an algorithm to compute molecular graph descriptors considering the stereochemistry of the molecular structure based on our previously introduced signature molecular descriptor. The algorithm can generate two types of descriptors, one which is
Lars Carlsson (10323) +2 more
core +1 more source