Zobrazeno 1 - 10
of 131
pro vyhledávání: '"Xie, Dexuan"'
The Voltage-Dependent Anion Channel (VDAC) protein is the primary conduit for the regulated passage of ions and metabolites into and out of mitochondria. Calculating its solvation free energy is crucial for understanding its stability, function, and
Externí odkaz:
http://arxiv.org/abs/2407.01569
Autor:
Xie, Dexuan
This paper presents an efficient finite element iterative method for solving a nonuniform size-modified Poisson-Nernst-Planck ion channel (SMPNPIC) model, along with a SMPNPIC program package that works for an ion channel protein with a three-dimensi
Externí odkaz:
http://arxiv.org/abs/2405.01619
Autor:
Chu, Yuetan, Luo, Gongning, Zhou, Longxi, Cao, Shaodong, Ma, Guolin, Meng, Xianglin, Zhou, Juexiao, Yang, Changchun, Xie, Dexuan, Henao, Ricardo, Xiao, Xigang, Wu, Lianming, Qiu, Zhaowen, Gao, Xin
Pulmonary artery-vein segmentation is crucial for diagnosing pulmonary diseases and surgical planning, and is traditionally achieved by Computed Tomography Pulmonary Angiography (CTPA). However, concerns regarding adverse health effects from contrast
Externí odkaz:
http://arxiv.org/abs/2404.07671
In this paper, a deep learning method for solving an improved one-dimensional Poisson-Nernst-Planck ion channel (PNPic) model, called the PNPic deep learning solver, is presented. In particular, it combines a novel local neural network scheme with an
Externí odkaz:
http://arxiv.org/abs/2401.17513
Autor:
Xie, Dexuan
The Goldman-Hodgkin-Katz (GHK) equations have been widely applied to ion channel studies, simulations, and model developments. However, they are constructed under a constant electric field, causing them to have a low degree of approximation in the pr
Externí odkaz:
http://arxiv.org/abs/2208.11293
A finite element solution of an ion channel dielectric continuum model such as Poisson-Boltzmann equation (PBE) and a system of Poisson-Nernst-Planck equations (PNP) requires tetrahedral meshes for an ion channel protein region, a membrane region, an
Externí odkaz:
http://arxiv.org/abs/2201.05707
Autor:
Xie, Dexuan
In this paper, a nonuniform size modified Poisson-Boltzmann ion channel (nuSMPBIC) model is presented as a nonlinear system of an electrostatic potential and multiple ionic concentrations. It mixes nonlinear algebraic equations with a Poisson boundar
Externí odkaz:
http://arxiv.org/abs/2108.13616
Autor:
Xie, Dexuan, Chao, Zhen
Publikováno v:
In Journal of Computational Physics 15 May 2023 481
Autor:
Xie, Dexuan
Publikováno v:
In Journal of Computational Physics 1 December 2022 470
We present a nonlocal electrostatic formulation of nonuniform ions and water molecules with interstitial voids that uses a Fermi-like distribution to account for steric and correlation effects in electrolyte solutions. The formulation is based on the
Externí odkaz:
http://arxiv.org/abs/1703.08290