Results 111 to 120 of about 3,260,181 (300)
On computing minimal proper nullspace bases with applications in fault detection [PDF]
, 2011 We discuss computationally efficient and numerically reliable algorithms to compute minimal proper nullspace bases of a rational or polynomial matrix.
Andras Varga, Varga, Andreas
core +1 more source
Design and analysis strategies for robust microbiome ageing research
FEBS Letters, EarlyView.The gut microbiome changes with age and associates with age‐related morbidity and mortality, establishing it as a potential biomarker and intervention target for ageing. Realising this potential requires methodological rigour, yet distinguishing biological signals from methodological artefacts remains challenging across cohorts. This review provides an
Mark Olenik +5 more
wiley +1 more source
Molecular Descriptors (Transform Descriptors) and Reactivity Prediction: Is it Possible?
, 2021 Introduction to a novel methodology for the prediction of chemical reactivity. Though under development, the methodology presented allows an easy understanding on how predictions in organic synthetic chemistry operate.
openaire +1 more source
Voronoi Entropy as a Ligand Molecular Descriptor of Protein-Ligand Interactions. [PDF]
ACS Omega, 2023 Shityakov S +3 more
europepmc +1 more source
FEBS Letters, EarlyView.CT10 regulator of kinase (CRK) and CRK‐Like (CRKL) are signaling adaptors driving cell adhesion, motility, differentiation, and proliferation. SH2‐domain containing (SH) proteins are enriched in YXXP motifs which when phosphorylated create preferred binding sites for CRK family SH2 domains.
Phoebe M. Cousens +8 more
wiley +1 more source
Analysis of molecular and (di)atomic dual-descriptor functions and matrices [PDF]
, 2021 In this work, the dual-descriptor is studied in matrix form f(2) (r, r') and both coordinates condensed to atoms, resulting in atomic and diatomic (or where applicable, bond) condensed single values. This double partitioning method of the dual-descriptor
Lain, Luis +4 more
core
A paradigmatic approach to the molecular descriptor computation for some antiviral drugs. [PDF]
Heliyon, 2023 Ghani MU +5 more
europepmc +1 more source
Reconstructing enzyme evolution by protein engineering
FEBS Letters, EarlyView.Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler +2 more
wiley +1 more source
Molecular descriptors of benzenoid systems
Química Nova, 2016 Molecular descriptors are being widely used in QSAR/QSPR studies in chemistry and drug designing as well as modeling of compounds. Different topological descriptors have been formulated to investigate the physio chemical properties and chemical reactivity of compounds.
Idrees, Nazeran +4 more
openaire +4 more sources
A molecular descriptor of intramolecular noncovalent interaction for regulating optoelectronic properties of organic semiconductors. [PDF]
Nat Commun, 2023 Liu M, Han X, Chen H, Peng Q, Huang H.
europepmc +1 more source