Ligand‐based Modeling for the Prediction of Pharmacophore Features for Multi‐targeted Inhibition of the Arachidonic Acid Cascade
Sign Up to like & getrecommendations! Published in 2018 at "Molecular Informatics"
DOI: 10.1002/minf.201700073
Abstract: The single‐target drugs against the arachidonic acid inflammatory pathway are associated with serious side effects, hence, as a first step towards multi‐target drugs, we have studied the pharmacophoric features common to the inhibitors of 5‐lipoxygenase‐activating… read more here.
Keywords: ligand based; modeling prediction; based modeling; arachidonic acid ... See more keywords
Agent-based Modeling May Help to Merge Research Traditions in Foraging Ecology in Europe and North America
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DOI: 10.1002/wsb.736
Abstract: Although ducks have long been popular research subjects in both North America and Europe, geographical divergences in research orientation have developed during the past several decades for studyin ... read more here.
Keywords: research; modeling may; based modeling; agent based ... See more keywords
ODE-Based Modeling of Complex Regulatory Circuits.
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DOI: 10.1007/978-1-4939-7125-1_20
Abstract: Transcriptional regulatory circuits are often complex, consisting of many components and regulatory interactions. Mathematical modeling is an important tool for understanding the behavior of these circuits, and identifying gaps in our understanding of gene regulation.… read more here.
Keywords: ode based; complex regulatory; regulatory circuits; based modeling ... See more keywords
Utilizing Atlas-Based Modeling to Predict Knee Joint Cartilage Degeneration: Data from the Osteoarthritis Initiative
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DOI: 10.1007/s10439-018-02184-y
Abstract: Currently, there are no clinically available tools or applications which could predict osteoarthritis development. Some computational models have been presented to simulate cartilage degeneration, but they are not clinically feasible due to time required to… read more here.
Keywords: knee joint; based modeling; cartilage degeneration; degeneration ... See more keywords
Agent-Based Modeling for Evaluation of Crop Pattern and Water Management Policies
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DOI: 10.1007/s11269-019-02327-3
Abstract: The objective of the present paper is to propose a framework for development of an optimal cropping pattern aimed at ground water recovery using an agent based approach. In the proposed agent-based model (ABM), the… read more here.
Keywords: pattern; water; management; based modeling ... See more keywords
An individual-based modeling framework for infectious disease spreading in clustered complex networks
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DOI: 10.1016/j.apm.2020.02.012
Abstract: Abstract We introduce an individual-based model with dynamical equations for susceptible-infected-susceptible (SIS) epidemics on clustered networks. Linking the mean-field and quenched mean-field models, a general method for deriving a cluster approximation for three-node loops in… read more here.
Keywords: disease spreading; mean field; complex networks; based modeling ... See more keywords
Fluid sensing using microcantilevers: From physics-based modeling to deep learning
Sign Up to like & getrecommendations! Published in 2020 at "Applied Mathematical Modelling"
DOI: 10.1016/j.apm.2020.06.051
Abstract: Abstract In-situ measurements of the viscosity and density of small volumes of liquids are required in several industrial applications. MEMS sensors deploying vibrating microstructures constitute an attractive alternative given the significant impact of the surrounding… read more here.
Keywords: microcantilevers physics; deep learning; physics based; physics ... See more keywords
Agent-Based Modeling Reveals Possible Mechanisms for Observed Aggregation Cell Behaviors.
Sign Up to like & getrecommendations! Published in 2018 at "Biophysical journal"
DOI: 10.1016/j.bpj.2018.11.005
Abstract: Myxococcus xanthus is a soil bacterium that serves as a model system for biological self-organization. Cells form distinct, dynamic patterns depending on environmental conditions. An agent-based model was used to understand how M. xanthus cells aggregate… read more here.
Keywords: aggregation; possible mechanisms; based modeling; model ... See more keywords
Elastic knowledge base of bcc Ti alloys from first-principles calculations and CALPHAD-based modeling
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DOI: 10.1016/j.commatsci.2017.08.037
Abstract: Abstract Titanium alloys are being investigated as suitable materials for load-bearing implants because of their biocompatibility and mechanical properties. Stress shielding, a common issue with the current load-bearing implant materials, occurs due to a Young’s… read more here.
Keywords: ternary alloys; based modeling; young modulus; bcc ... See more keywords
A microstructure-based modeling approach to predict the mechanical properties of Zr alloy with hydride precipitates
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DOI: 10.1016/j.commatsci.2021.110654
Abstract: Abstract In nuclear reactors, hydrides can form in fuel cladding due to hydrogen absorption in Zircaloy and cause embrittlement. This work presents a microstructure-based finite element model to predict the stress–strain response of Zircaloy containing… read more here.
Keywords: microstructure based; mechanical properties; zircaloy; based modeling ... See more keywords
Refinement-based modeling of the ErbB signaling pathway
Sign Up to like & getrecommendations! Published in 2019 at "Computers in biology and medicine"
DOI: 10.1016/j.compbiomed.2019.01.016
Abstract: The construction of large scale biological models is a laborious task, which is often addressed by adopting iterative routines for model augmentation, adding certain details to an initial high level abstraction of the biological phenomenon… read more here.
Keywords: step; based modeling; model; modeling erbb ... See more keywords