Articles with "computational modeling" as a keyword



Computational Modeling and Analysis of Fungi‐Inspired Network Systems

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Published in 2025 at "Advanced Engineering Materials"

DOI: 10.1002/adem.202402949

Abstract: Filamentous fungi create complex structures, such as mushrooms, using filaments made of fungal cells, called hyphae. Previous research shows that the presence of distinct types of hyphal filaments can affect the mechanical properties of the… read more here.

Keywords: mechanical properties; orientation; computational modeling; hyphal filaments ... See more keywords

Clinical Value of CT‐Based 3D Computational Modeling in Left Atrial Appendage Occlusion: An In‐Depth Analysis of the PRECISE LAAO Study

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Published in 2025 at "Catheterization and Cardiovascular Interventions"

DOI: 10.1002/ccd.31464

Abstract: Standard of care (SoC) assessment based on computed tomography (CT) and/or transesophageal echocardiography is suboptimal for adequate preprocedural evaluation for left atrial appendage occlusion (LAAO). This can be improved through CT‐based 3D computational modeling of… read more here.

Keywords: computational modeling; left atrial; based computational; atrial appendage ... See more keywords

Quantitative Analyses of Cerebral Hemodynamics and Wave Dynamics in Essential Systemic Hypertension: A Multiscale Computational Modeling Study

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Published in 2025 at "International Journal for Numerical Methods in Biomedical Engineering"

DOI: 10.1002/cnm.70082

Abstract: Hypertension‐induced alterations in hemodynamics and wave dynamics are important pathological mechanisms for cerebrovascular diseases, vascular cognitive impairment and dementia. However, fundamental understanding of hemodynamics and wave dynamics in hypertension remains limited due to the restricted… read more here.

Keywords: wave dynamics; computational modeling; hemodynamics; hemodynamics wave ... See more keywords

Computational Modeling of the Kidney Hemodynamics With a Coupled Unsteady Stokes–Darcy Model

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Published in 2025 at "International Journal for Numerical Methods in Biomedical Engineering"

DOI: 10.1002/cnm.70108

Abstract: We consider the numerical simulation of blood flows in a patient‐specific kidney including the renal artery, the renal vein, and the kidney tissue using a coupled system of unsteady Stokes–Darcy equations. The Stokes equations and… read more here.

Keywords: computational modeling; method; hemodynamics; stokes darcy ... See more keywords
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Computational modeling of multiphase viscoelastic and elastoviscoplastic flows

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Published in 2018 at "International Journal for Numerical Methods in Fluids"

DOI: 10.1002/fld.4678

Abstract: In this paper, a three-dimensional numerical solver is developed for suspensions of rigid and soft particles and droplets in viscoelastic and elastoviscoplastic (EVP) fluids. The presented algorithm is designed to allow for the first time… read more here.

Keywords: elastoviscoplastic flows; solver; viscoelastic elastoviscoplastic; modeling multiphase ... See more keywords

Computational modeling of oligothiophenes‐based donor molecules to boost optoelectronic attributes of organic solar cells

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Published in 2024 at "Journal of the Chinese Chemical Society"

DOI: 10.1002/jccs.202400033

Abstract: The computational modeling of seven oligothiophene‐based donor molecules (TZ1–TZ7) designed by acceptor modification at the terminal position of the literature molecule (TZR) were discussed for organic solar cells (OSCs). DFT simulations using B3LYP/def2svp levels were performed… read more here.

Keywords: computational modeling; based donor; solar cells; tz1 tz7 ... See more keywords
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Computational modeling of strained alkenes: Choosing the right computational model

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Published in 2017 at "International Journal of Quantum Chemistry"

DOI: 10.1002/qua.25439

Abstract: The applicability of 12 different quantum chemical calculation methods, including density functional theory (DFT) and ab initio methods, for describing strained alkenes and modeling their gas-phase basicities (GB), hydrogenation enthalpies, and double bond geometries was… read more here.

Keywords: strained alkenes; right computational; choosing right; alkenes choosing ... See more keywords
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Computational Modeling of Glycan Processing in the Golgi for Investigating Changes in the Arrangements of Biosynthetic Enzymes.

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Published in 2022 at "Methods in molecular biology"

DOI: 10.1007/978-1-0716-1685-7_10

Abstract: Modeling glycan biosynthesis is becoming increasingly important due to the far-reaching implications that glycosylation can exhibit, from pathologies to biopharmaceutical manufacturing. Here we describe a stochastic simulation approach, to overcome the deterministic nature of previous… read more here.

Keywords: processing golgi; glycan processing; computational modeling; investigating changes ... See more keywords
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Computational Modeling of the Hsp90 Interactions with Cochaperones and Small-Molecule Inhibitors.

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Published in 2018 at "Methods in molecular biology"

DOI: 10.1007/978-1-4939-7477-1_19

Abstract: Allosteric interactions of the molecular chaperone Hsp90 with a diverse array of cochaperones and client proteins, such as protein kinases and transcription factors, allow for efficient molecular communication in signal transduction networks. Deregulation of pathways… read more here.

Keywords: computational modeling; modeling hsp90; biology; hsp90 interactions ... See more keywords

Uncovering Bistability in the Rac1/RhoA Signaling Network Through Integrating Computational Modeling and Experimentation.

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Published in 2018 at "Methods in molecular biology"

DOI: 10.1007/978-1-4939-8612-5_2

Abstract: The members of the Rho family of small guanosine triphosphatases (GTPases), Rac1 and RhoA, play critical roles in the regulation of cell migration, actin dynamics, and cytoskeletal system. It has been long known that a… read more here.

Keywords: computational modeling; biology; rac1 rhoa; rac1 ... See more keywords

Computational Modeling of Collective Cell Migration: Mechanical and Biochemical Aspects.

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Published in 2019 at "Advances in experimental medicine and biology"

DOI: 10.1007/978-3-030-17593-1_1

Abstract: Collective cell migration plays key roles in various physiological and pathological processes in multicellular organisms, including embryonic development, wound healing, and formation of cancer metastases. Such collective migration involves complex crosstalk among cells and their… read more here.

Keywords: cell migration; computational modeling; collective cell; migration ... See more keywords