Results 71 to 80 of about 2,991,068 (282)
Cell wall target fragment discovery using a low‐cost, minimal fragment library
FEBS Letters, EarlyView.LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan +5 more
wiley +1 more source
pyMechOpt: A Python toolbox for optimizing of reaction mechanisms
SoftwareXThis paper introduces pyMechOpt, an open-source Python package designed for the optimization of chemical reaction mechanisms. The package implements a range of optimization methods, including conventional algorithms such as genetic algorithms (GA) and ...
Sihan Di +3 more
doaj +1 more source
Computational Chemistry and Non-noble Metal-catalyzed Cross-coupling Reaction Mechanisms
CHIMIA, 2020 This short overview discusses the contribution that computational methods can make to the study of reaction mechanisms in non-noble-metal-catalyzed cross-coupling reactions.
Jeremy N. Harvey, Andrea Daru
doaj +1 more source
FEBS Letters, EarlyView.Bone metastasis in prostate cancer (PCa) patients is a clinical hurdle due to the poor understanding of the supportive bone microenvironment. Here, we identify stearoyl‐CoA desaturase (SCD) as a tumor‐promoting enzyme and potential therapeutic target in bone metastatic PCa.
Alexis Wilson +7 more
wiley +1 more source
Education SciencesOrganic Chemistry has typically been identified as a difficult course for many undergraduate students and has a notoriously high failure rate. The part of the subject dealing with reaction mechanisms is considered the most challenging area, and several ...
Oluwatobi Odeleye, Nghiem Tieu
doaj +1 more source
On neutron-induced reaction mechanisms at medium energies
EPJ Web of Conferences, 2012 Recent accurate data obtained for the isomeric cross section of the 197Au(n, 2n) reaction provides an effective opportunity to consider the question of the effective moment of inertia of the nucleus within a consistent model analysis of all available ...
Roman F.L., Avrigeanu V., Avrigeanu M.
doaj +1 more source
Bond-Order Time Series Analysis for Detecting Reaction Events in Ab Initio Molecular Dynamics Simulations. [PDF]
, 2020 Ab initio molecular dynamics is able to predict novel reaction mechanisms by directly observing the individual reaction events that occur in simulation trajectories.
Hutchings, Marshall +4 more
core +1 more source
The role of response mechanisms in determining reaction time performance: Piéron’s Law revisited [PDF]
, 2004 A response mechanism takes evaluations of the importance of potential actions and selects the most suitable. Response mechanism function is a nontrivial problem that has not received the attention it deserves within cognitive psychology. In this article,
Gurney, K.N., Stafford, T.
core +2 more sources
FEBS Letters, EarlyView.We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee +3 more
wiley +1 more source
Dynamics of vitrimers: defects as a highway to stress relaxation [PDF]
, 2018 We propose a coarse-grained model to investigate stress relaxation in star-polymer networks induced by dynamic bond exchange processes. We show how the swapping mechanism, once activated, allows the network to reconfigure, exploring distinct topological ...
Ciarella, Simone +2 more
core +3 more sources