Journal of chemical information and modeling
May 25, 2021
Computational predictions of the thermodynamic properties of molecules and materials play a central role in contemporary reaction prediction and kinetic modeling. Due to the lack of experimental data and computational cost of high-level quantum chemi...
A global pandemic has emerged following the appearance of the new severe acute respiratory virus whose official name is the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), strongly affecting the health sector as well as the world econom...
The biopharmaceutical industries are continuously faced with the pressure to reduce the development costs and accelerate development time scales. The traditional approach of heuristic-based or platform process-based optimization is soon getting obsol...
Non-Markovian models of stochastic biochemical kinetics often incorporate explicit time delays to effectively model large numbers of intermediate biochemical processes. Analysis and simulation of these models, as well as the inference of their parame...
This study presents the kinetics of production of a glycolipopeptide biosurfactant in a medium previously co-optimized by response surface and neural network methods to gain some insight into its volumetric and specific productivities for possible sc...
The present paper is dedicated to analyze non-hazardous kinetic behaviour and modelling of green synthesized cobalt nanocatalyst (CoNCs), using an Artificial Neural Network (ANN). In order to supplement the trace metal in other applications, CoNCs we...
Positron emission tomography (PET) plays an increasingly important role in research and clinical applications, catalysed by remarkable technical advances and a growing appreciation of the need for reliable, sensitive biomarkers of human function in h...
In this study, Levenberg Marquardt back propagation algorithm was used to train the Artificial Neural Network (ANN) and to predict the adsorptive removal of cationic dye Basic Violet 03 (BV03) by biochar derived from biowaste of groundnut hull. The e...
International journal of molecular sciences
Jan 15, 2021
(1) Background: In this work, we focus on the activity of large-conductance voltage- and Ca2+-activated potassium channels (BK) from the inner mitochondrial membrane (mitoBK). The characteristic electrophysiological features of the mitoBK channels ar...
Serotonin plays a central role in cognition and is the target of most pharmaceuticals for psychiatric disorders. Existing drugs have limited efficacy; creation of improved versions will require better understanding of serotonergic circuitry, which ha...
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