Concept

In silico

Related publications (36)

Community-based reconstruction and simulation of a full-scale model of region CA1 of rat hippocampus.

Henry Markram, Felix Schürmann, Eilif Benjamin Muller, Srikanth Ramaswamy, Michael Reimann, Werner Alfons Hilda Van Geit, James Gonzalo King, Marwan Muhammad Ahmed Abdellah, Lida Kanari, Pramod Shivaji Kumbhar, Alexis Arnaudon, Ying Shi, Jean-Denis Georges Emile Courcol, Armando Romani, András Ecker, Michael Emiel Gevaert, Michele Migliore, Cyrille Pierre Henri Favreau, Vishal Sood, Cristina Colangelo, Mohameth François Sy, Judit Planas Carbonell, Szabolcs Kali, Genrich Ivaska, Carmen Alina Lupascu, Elvis Boci, Alberto Antonietti, Fabien Petitjean, Julian Martin Budd, Elisabetta Giacalone, Davide Bella, Mustafa Kerem Kurban, Pranav Rai, Juan Bautista Hernando Vieites, Huanxiang Lu, Liesbeth Maria L Vanherpe, Joni Henrikki Herttuainen, Rosanna Migliore, Anna-Kristin Kaufmann, Juan Luis Riquelme Roman, Sàra Sàray, Audrey Mercer, Thomas Brice Delemontex, Nadir Roman Guerrero

The CA1 region of the hippocampus is one of the most studied regions of the rodent brain, thought to play an important role in cognitive functions such as memory and spatial navigation. Despite a wealth of experimental data on its structure and function, i ...

2023

Computer-implemented design of peptide:receptor signaling complexes for enhanced chemotaxis

Patrick Daniel Barth, Robert Everett Jefferson

The present invention relates to a computer-implemented method for engineering the interaction between a protein and a cognate peptide that are capable of forming a molecular complex, wherein the method comprises (a) preparing in silico a library of test p ...

2023

Determination of Aortic Characteristic Impedance and Total Arterial Compliance From Regional Pulse Wave Velocities Using Machine Learning: An in-silico Study

Nikolaos Stergiopoulos, Georgios Rovas, Vasiliki Bikia, Stamatia Zoi Pagoulatou

In-vivo assessment of aortic characteristic impedance (Zao) and total arterial compliance (CT) has been hampered by the need for either invasive or inconvenient and expensive methods to access simultaneous recordings of aortic pressure and flow, wall thick ...

2021

In-silico behavior of dissolved prolamins under electric field effect applied by electrospinning process using molecular dynamics simulation

Niloufar Sharif

This paper describes processing of alpha-zeins (Z19 and Z22) and alpha-gliadin (G) dissolved in aqueous ethanol under an electric field from a molecular viewpoint using molecular dynamics simulation. From the results, it was found that zeins dominated in h ...

ELSEVIER2021

Alpha-synuclein oligomerization is one of the early events on the pathway to Lewy body formation. Therefore, interfering with this process holds tremendous potential for developing therapies that block alpha-Syn pathology formation and toxicity. The develo ...

WILEY2021

The Neurorobotic Platform: A simulation environment for brain-inspired robotics

Marc-Oliver Gewaltig, Paul Levi

The aim of the neurorobotic platform of the Human Brain Project is to offer scientists and technology developers a soft - ware and hardware infrastructure that allows them to connect pre-validated brain models to detailed simulations of ro- bot bodies and ...

VDE Verlag2021

Mechanics and co-evolution of allosteric materials and proteins

Riccardo Ravasio

The regulation of several processes inside and outside the cell depends on the action of a particular class of enzymes, called allosteric. In allosteric macromolecules, binding a ligand at one site affects the binding activity at a distal functional site, ...

EPFL2020

In Silico Discovery of Covalent Organic Frameworks for Carbon Capture

Berend Smit, Daniele Ongari, Christoph Leopold Talirz, Aliaksandr Yakutovich, Johanna Maria Huck, Kathryn Suzanne Deeg, Daiane Damasceno Borges, Nakul Rampal

We screen a database of more than 69 000 hypothetical covalent organic frameworks (COFs) for carbon capture using parasitic energy as a metric. To compute CO2-framework interactions in molecular simulations, we develop a genetic algorithm to tune the charg ...

2020

Understanding Computational Costs of Cellular-Level Brain Tissue Simulations Through Analytical Performance Models

Felix Schürmann, Francesco Cremonesi

Computational modeling and simulation have become essential tools in the quest to better understand the brain's makeup and to decipher the causal interrelations of its components. The breadth of biochemical and biophysical processes and structures in the b ...

HUMANA PRESS INC2020

Computational characteristics and hardware implications of brain tissue simulations

Francesco Cremonesi

Understanding the link between the brain's anatomy and its function through computer simulations of neural tissue models is a widely used approach in computational neuroscience. This technique enables rapid prototyping and testing of hypotheses, allowing r ...

EPFL2019

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