Results 31 to 40 of about 4,253,827 (311)

scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science [version 2; peer review: 2 approved, 1 approved with reservations]

open access: yesOpen Research Europe, 2023
Easy-to-use libraries such as scikit-learn have accelerated the adoption and application of machine learning (ML) workflows and data-driven methods. While many of the algorithms implemented in these libraries originated in specific scientific fields ...
Philip Loche   +7 more
doaj   +1 more source

Computer modelling of monoamine oxidases [PDF]

open access: yesBiochemistry (Moscow) Supplement Series B: Biomedical Chemistry, 2015
The article summarized results of studies on active site structures of monoamine oxidases (MAO) performed in the Institute of Biomedical Chemistry (Russia) by computer modelling approaches. MAO, catalyzing the reaction of oxidative deamination of major neurotransmitter monoamines, exists in two highly homologous forms, MAO A and MAO B, distinguished by
A V, Veselovsky   +2 more
openaire   +2 more sources

Simulation of Fire with a Gas Kinetic Scheme on Distributed GPGPU Architectures

open access: yesComputation, 2020
The simulation of fire is a challenging task due to its occurrence on multiple space-time scales and the non-linear interaction of multiple physical processes. Current state-of-the-art software such as the Fire Dynamics Simulator (FDS) implements most of
Stephan Lenz   +2 more
doaj   +1 more source

Withasomniferol C, a new potential SARS-CoV-2 main protease inhibitor from the Withania somnifera plant proposed by in silico approaches [PDF]

open access: yesPeerJ, 2022
Exploring potent herbal medicine candidates is a promising strategy for combating a pandemic in the present global health crisis. In Ayurveda (a traditional medicine system in India), Withania somnifera (WS) is one of the most important herbs and it has ...
Shivananada Kandagalla   +5 more
doaj   +2 more sources

Computational modeling of epilepsy [PDF]

open access: yesEpilepsia, 2011
SummaryWith the rapid rise in our knowledge about the structural and functional properties of neuronal microcircuits and the exponentially increasing power of computers, it has become possible to closely integrate experimental findings with large‐scale, anatomically and biophysically realistic computational simulations of control and epileptic neuronal
Marianne, Case, Ivan, Soltesz
openaire   +2 more sources

Synchronizability of Discrete Nonlinear Systems: A Master Stability Function Approach

open access: yesComplexity, 2023
In recent times, studies on discrete nonlinear systems received much attention among researchers because of their potential applications in real-world problems.
Mohanasubha Ramasamy   +4 more
doaj   +1 more source

In-Silico Design of Novel Glucagon-Like Peptide 1 Mutants as Candidate for New Peptide Agonist Drugs

open access: yesHayati Journal of Biosciences, 2021
The binding of glucagon-like peptide 1 (GLP-1) incretin hormone and its receptor GLP-1R plays an important role in the human body. The GLP-1 acts as the insulin secretion stimulator through a GLP-1R agonist activation to avoid the type 2 diabetes ...
Tony Sumaryada   +4 more
doaj  

Models of Representation in Computational Intelligence [Guest Editorial] [PDF]

open access: yes, 2023
Computational Intelligence (CI) provides a set of powerful tools to effectively tackle complex computational tasks: global optimization methods (e.g., evolutionary computation, swarm intelligence), machine learning (e.g., neural networks), fuzzy ...
Manzoni, Luca   +7 more
core   +1 more source

Mathematical modeling and computational intelligence in engineering applications

open access: yes, 2016
This book brings together a rich selection of studies in mathematical modeling and computational intelligence, with application in several fields of engineering, like automation, biomedical, chemical, civil, electrical, electronic, geophysical and ...
Llanes Santiago, Orestes   +5 more
core   +1 more source

A qualitatively validated mathematical-computational model of the immune response to the yellow fever vaccine

open access: yesBMC Immunology, 2018
Background Although a safe and effective yellow fever vaccine was developed more than 80 years ago, several issues regarding its use remain unclear. For example, what is the minimum dose that can provide immunity against the disease?
Carla R. B. Bonin   +3 more
doaj   +1 more source

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