Introducing ligand GA, a genetic algorithm molecular tool for automated protein inhibitor design by Gordon Chalmers

“…This algorithm and work is in the context of computational modeling, ligand design and docking to protein sites.…”
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Numerical and experimental investigation of thermoelectric cooling in down-hole measuring tools; a case study by Rohitha Weerasinghe, Thomas Hughes

“…Validity of the extrapolation of thermoelectric cooling performance at elevated temperatures has been tested using computational models for thermoelectric cooling device. This method has been used to model cooling characteristics of a prototype downhole tool and the computational technique used has been proven valid.…”
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Computer Aided Modelling of Compartment Fires – an Overview by Patrik TISCHLER, Andrea MAJLINGOVÁ, Danica KAČÍKOVÁ

“…Several programme environments, computer models, have been developed and used in recent years to model the dynamic of internal fire. …”
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The two scales of new physics in Higgs couplings by Raffaele Tito D’Agnolo, Florian Nortier, Gabriele Rigo, Pablo Sesma

“…The scale of new bosons can be calculated by going beyond an effective field theory description of the coupling deviation. We compute model-independent upper bounds on the scale of new bosons for deviations in Higgs to WW and ZZ couplings, finding that any measured deviation at present or future colliders requires the existence of new bosons within experimental reach. …”
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A Vehicle - Bridge Interaction by Jozef Melcer

“…They enable to solve very truthful space computing models numerically. The results of numerical computation must by verified by the in situ experimental measurements. …”
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A Computational Journey across Nitroxide Radicals: From Structure to Spectroscopic Properties and Beyond by Vincenzo Barone, Marco Fusè, Sandra Mónica Vieira Pinto, Nicola Tasinato

“…In this paper we validate a computational model rooted into double-hybrid functionals and second order vibrational perturbation theory. …”
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A Review of COVID-19 Dissemination and its Applications through Mathematical Model by Irfan Majeed

“…The purpose of this study is to describe the outbreak of a novel coronavirus (COVID-19) and review the computational model, which was based on non-linear ordinary differential equations. …”
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Two-Dimensional Modelling and Validation of the Mass Flow in a Mixing Stirred Reactor by Daniela Kladeková, Renáta Oriňáková, Hans-Dieter Wiemhöfer, Annamária Krajníková, Andrej Oriňák

“…The present work focuses on the computational modelling of fluid flow in a mixing stirred reactor to describe the flow pattern in two‐dimensional (2D) detail, which can be useful for optimizing the parameters of electroplating for the production of a uniform film on metallic particles in a stirred electrolytic cell. …”
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Curvature-Adjustable Polymeric Nanolens Fabrication Using UV-Controlled Nanoimprint Lithography by Qiang Li, Myung Gi Ji, Ashish Chapagain, In Ho Cho, Jaeyoun Kim

“…Our results reveal a regime in which the nanolens’ height changes linearly with the UV dose. Computational modeling further uncovers that the polymer undergoes highly nonlinear dynamics during the UV-controlled nanoimprinting process. …”
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Multiphysics Modeling of a Synthetic Jet Actuator in Operation by Matthew G. M. Butler, Alis Ekmekci, Pierre E. Sullivan

“…To better understand the performance of synthetic jet actuators, a computational model that couples structural mechanics with electrostatics, pressure acoustics, and fluid dynamics is needed. …”
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Calculation of Loads on Carrying Structures of Articulated Circular-Tube Wagons Equipped with New Draft Gear Concepts by Alyona Lovska, Oleksij Fomin, Pavel Kučera, Václav Píštěk

“…Using the created computational models, the service life of the structure of the proposed articulated wagons was also determined. …”
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Noise induced hearing loss: Building an application using the ANGELIC methodology by Latifa Al-Abdulkarim, Katie Atkinson, Trevor Bench-Capon, Stuart Whittle, Rob Williams, Catriona Wolfenden

“…The project shows that current academic research using computational models of argument can prove useful to legal practitioners confronted by real legal tasks.…”
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Making sense of models: How teachers use agent‐based modeling to advance mechanistic reasoning by Hsiao, Ling, Lee, Irene, Klopfer, Eric

“…Computer modeling promotes mechanistic reasoning when learners build and analyze models of complex systems to explore causal mechanisms and use models to generate patterns. …”
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A parallel computing method for automatic license-plate detection on Windows-based computer cluster by Qian, Xiaodong

“…The aim of this thesis is to build an effective parallel computing model on a cluster of PCs and investigate its practical utilization.…”
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Computational multiscale modeling in the UPS physiome project: Modeling cardiac electromechanics by Nickerson, D, Nash, M, Nielsen, P, Smith, N, Hunter, P

“…We present a computational modeling and numerical simulation framework that enables the integration of multiple physics and spatiotemporal scales in models of physiological systems. …”

Oculomotor effects of medical and surgical treatments of Parkinson's disease by Patel, S, Fitzgerald, J, Antoniades, C

“…Comparing and contrasting these effects may yield insights into Parkinson's disease pathophysiology, and the mechanisms of pharmacological and neurosurgical treatments. Computational models of saccadic control, such as the LATER model, can help to interpret the distribution of saccadic latencies, providing a framework for objectively comparing the effects of pharmaceutical interventions and deep brain stimulation.…”

Navigation of migratory songbirds: a quantum magnetic compass sensor by Wong, SY, Frederiksen, A, Hanic, M, Schuhmann, F, Gruening, G, Hore, PJ, Solov'yov, I

“…At the end we provide an overview of current research on quantum mechanical processes in avian cryptochromes and the computational models for describing them. …”

A carbon and nitrogen flux model of mussel digestive gland epithelial cells and their simulated response to pollutants. by McVeigh, A, Allen, J, Moore, M, Dyke, P, Noble, D

“…The simulation of their uptake and export mechanisms as well as an internal protein degradation pathway, and any subsequent disruption to any of them, has been undertaken. A computational model is described, which simulates the flow of carbon and nitrogen through a mussel's digestive cell. …”

Rethinking segregation and integration: contributions of whole-brain modelling by Deco, G, Tononi, G, Boly, M, Kringelbach, M

“…By contrast, recent whole-brain computational modelling approaches have enabled us to start assessing the effect of input perturbations on brain dynamics in silico.…”

Distribution of a persistent sodium current across the ventricular wall in guinea pigs. by Sakmann, B, Spindler, A, Bryant, S, Linz, K, Noble, D

“…There was no significant difference in I(pNa) current density between subepicardial and subendocardial cells. Computer modeling studies support a role of this current in the dispersion of action potential duration across the ventricular wall.…”