Results 71 to 80 of about 1,158,124 (312)
The acceptance of
, 2011 In silico models have prompted considerable interest and debate because of their potential value in predicting the properties of chemical substances for regulatory purposes.
Antonio Cassano +31 more
core +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
On the Concept of a Chemical Model
Croatica Chemica Acta, 1997 The concepts of model and modeling are discussed. Various classifications of models are given. It is pointed out that the progress of science in general and chemistry in particular is based on models and modeling since no better tools have yet been found to study Nature.
Trinajstić, Nenad, Nikolić, Sonja
openaire +2 more sources
Model Discrimination in Chemical Kinetics [PDF]
The Open Catalysis Journal, 2009 In studies on chemical kinetics, generally after the rate data have been taken, a mechanism and an associated rate law model are proposed based on the data taken. Frequently, more than one mechanism and rate law may be consis- tent with data. In order to find the correct rate law, regression techniques (model discrimination) are applied to indentify ...
Özdemir, Burcu, Gültekin, Selahattin
openaire +1 more source
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
Students' Mental Models of Chemical Reactions
, 2013 Previous research on topics such as atomic structure and chemical bonding indicates that students’ mental models are often inconsistent with the scientific models, which may impede learning of advanced concepts.
Lajium, Denis Andrew D
core
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
Química Nova, 2008 The importance of chemical language and specifically of molecular models and their representations in the development of chemistry is discussed. Structural formulas are projections of molecular models used as a specific language by chemists.
Nídia Franca Roque +1 more
doaj +1 more source
Kernel Methods for Predicting Yields of Chemical Reactions
, 2022 The use of machine learning methods for the prediction of reaction yield is an emerging area. We demonstrate the applicability of support vector regression (SVR) for predicting reaction yields, using combinatorial data.
Taylor, Adam +9 more
core +1 more source