23 papers · ranked by Valyu relevance
David Seiferth, Philip C. Biggin
There are increasing numbers of ion channel structures featuring heteromeric subunit assembly, exemplified by synaptic α1β_B_ Glycine and α4β2 Nicotinic receptors. These structures exhibit inherent pore asymmetry, but the relevance of this to function is unknown. Furthermore, molecular dynamics simulations performed on…
Raphael Schmetterling, Thiago B. Burghi, Rodolphe Sepulchre
Neuromodulation is central to the adaptation and robustness of animal nervous systems. This paper explores the classical paradigm of indirect adaptive control to design neuromodulatory controllers in conductance-based neuronal models. The adaptive control of maximal conductance parameters is shown to provide a…
Agnit Mukhopadhyay, D. T. Welling, M. W. Liemohn, A. J. Ridley + 2 more
'Shibaji Chakraborty' 'B. J. Anderson'] - An updated auroral conductance module is built for global models using nonlinear regression & empirical adjustments spanning extreme events. - Expanded dataset raises the ceiling of conductance values, impacting the polar cap potential, dB/dt & ∆B predictions during extreme…
Zipiao Ye, Ting An, Xiaolong Yang, Huajing Kang + 2 more
Simple Summary This study introduces a new model for predicting stomatal conductance (gsc)-the rate at which plants exchange gas such as CO2 and water vapor with the atmosphere through stomata-in three common C3 plant species. The researchers compared a new model proposed by Ye et al. with two widely used models…
Niraj S. Desai, Richard Gray, Daniel Johnston
The dynamic clamp should be a standard part of every cellular electrophysiologist’s toolbox. That it is not, even 25 years after its introduction, comes down to three issues: money, the disruption that adding dynamic clamp to an existing electrophysiology rig entails, and the technical prowess required of…
Robert Law, Stephanie R. Jones
Ion channels are ubiquitous in living systems. Through interactions with membrane potential, ion channels both control metabolic events and mediate cell communication. Consequentially, membrane bioelectricity bears on fields ranging from cancer etiology to computational neuro-science. Conductance models have proven…
Chaitanya Chintaluri, William Podlaski, Panos A. Bozelos, Pedro J Gonçalves + 3 more
Biophysical neuron modeling is an indispensable tool in neuroscience research, with the combination of diverse ion channel kinetics and morphologies being used to explain various single-neuron properties and responses. Despite this, there is no standard way of formulating ion channel models, making it challenging to…
Daniel E. Hurtado, Javiera Jilberto, Grigory Panasenko, Aslak Tveito
Gap junctions are key mediators of intercellular communication in cardiac tissue, and their function is vital to sustaining normal cardiac electrical activity. Conduction through gap junctions strongly depends on the hemichannel arrangement and transjunctional voltage, rendering the intercellular conductance highly…
Marco Arieli Herrera Valdez
Multicellular organisms rely on electrical signaling to communicate messages within and between different tissues. Channel-mediated ionic transport is typically modeled with conductance-based formulations that assume currents are the result of ionic electrical drift, without taking diffusion into consideration [1]. In…
Kedar Dhamdhere, Mukund Sundararajan, Qiqi Yan
Informally, the conductance of a hidden unit of a deep network is the flow of attribution via this hidden unit. We use conductance to understand the importance of a hidden unit to the prediction for a specific input, or over a set of inputs. We evaluate the effectiveness of conductance in multiple ways, including…
Anirban Nandi, Tom Chartrand, Werner Van Geit, Anatoly Buchin + 11 more
Identifying the cell types constituting brain circuits is a fundamental question in neuroscience and motivates the generation of taxonomies based on electrophysiological, morphological and molecular single cell properties. Establishing the correspondence across data modalities and understanding the underlying…
Yue Zhang, Kuanquan Wang, Yongfeng Yuan, Dong Sui + 1 more
Hodgkin-Huxley (HH) equation is the first cell computing model in the world and pioneered the use of model to study electrophysiological problems. The model consists of four differential equations which are based on the experimental data of ion channels. Maximal conductance is an important characteristic of different…
Xiaolin Liu, Hao Yang, Hassan Harb, Rajarshi Samajdar + 8 more
Molecular electronic devices require precise control over the flow of current in single molecules. However, the electron transport properties of single molecules critically depend on dynamic molecular conformations in nanoscale junctions. Here, we report a unique strategy for controlling molecular conductance using…
Tanmay A. Gokhale, Jong M. Kim, Robert D. Kirkton, Nenad Bursac + 2 more
'Craig S. Henriquez' 'Andrew D. McCulloch'] To understand how excitable tissues give rise to arrhythmias, it is crucially necessary to understand the electrical dynamics of cells in the context of their environment. Multicellular monolayer cultures have proven useful for investigating arrhythmias and other conduction…
Linda Holland, Henk W. de Regt, Benjamin Drukarch
Currently, a scientific debate is ongoing about modeling nerve impulse propagation. One of the models discussed is the celebrated Hodgkin-Huxley model of the action potential, which is central to the electricity-centered conception of the nerve impulse that dominates contemporary neuroscience. However, this model…
Joseph G. Shuttleworth, Chon Lok Lei, David J. Whittaker, Monique J. Windley + 3 more
'Monique J. Windley' 'Adam P. Hill' 'Simon Preston' 'Gary R. Mirams'] When mathematical biology models are used to make quantitative predictions for clinical or industrial use, it is important that these predictions come with a reliable estimate of their accuracy (uncertainty quantification). Because models of complex…
Christopher Schölzel, Valeria Blesius, Gernot Ernst, Andreas Dominik
Reproducible, understandable models that can be reused and combined to true multi-scale systems are required to solve the present and future challenges of systems biology. However, many mathematical models are still built for a single purpose and reusing them in a different context can be challenging due to an…
Authors not listed
A directed-graph model is proposed to describe the concerted ion migration in superionic conductors. Here, each ion hopping during the molecular dynamics simulation is represented as a displacement vector. Multiple hoppings are then timely and spatially connected to reconstruct the concerted ion migration. This enables…
Anuj Guruacharya
I have created an online tool and an R library that simulates biophysics of voltage-gated ion channels. It is made publicly available as an R library called Panama at github.com/anuj2054/panama and as a web app at neuronsimulator.com. A need for such a tool was observed after surveying available software packages. I…
Baptiste Py, Adeleke Maradesa, Francesco Ciucci
The distribution of relaxation times (DRT) method is a non-parametric approach for analyzing electrochemical impedance spectroscopy (EIS) data. However, we must be careful when using the DRT method on electrochemical systems with blocking electrodes, such as those encountered in batteries and supercapacitors. This is…
Authors not listed
The Microporous Layer (MPL) plays a crucial role in Proton Exchange Membrane Fuel Cells (PEMFCs), as its microstructure significantly influences the overall transport properties within these devices. This study introduces a novel Machine Learning (ML) approach to optimize the MPL microstructure and properties.…
Authors not listed
Common methods for assigning atom-centered partial charges in computational chemistry, such as RESP and AM1-BCC, rely on quantum mechanical or semi-empirical calculations of the molecule of interest, which are expensive to compute and dependent on the choice of input molecular conformer(s). Graph neural network (GNN)…
Harry Gray
Developed in this article is the electron transfer network, a graph structure whose adjacent nodes are reversibly coupled chemically reactive species whose forward and reverse rate constants are calculated by semiclassical electron transfer theory. These ET networks resemble electric circuits containing branches…