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Development of a platform for rational diagnostic design using a venom-antibody model
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Numerical (FEA) evaluation of crane end buffer impact forces
Published 2008Get full text
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Parameterization of the Gay-Berne coarse-grained potential from atomistically detailed anisotropic free energy volumes
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Prediction of burden distribution and electrical resistance in submerged arc furnaces using DEM modelling
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Refining the HIV-1 glycan shield model: dynamics of a heterogeneous envelope trimer and empirical prediction of glycan processing
Published 2020“…The HIV-1 surface protein, Envelope (Env), is covered in asparagine-linked glycans, which interact with the human immune system and are thus important as potential vaccine targets. …”
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A methodology for coupled CFD-DEM modeling of particulate suspension rheology
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Modelling directional casting processes in which heat conduction and cavity radiation are the dominant modes of heat transfer
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Novel Quercetin-Based Sensors for Aluminum Detection in Complex Matrices
Published 2025“…Further research was conducted to test the applicability of the designed sensor for analyzing aluminum in various dietary samples and simulated biological fluids. This study also validated the binding interactions between ions and quercetin theoretically using Density Functional Theory computation, which revealed a strong correlation with experimental findings. …”
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Analytical and a numerical ground resonance analysis of a conventionally articulated main rotor helicopter
Published 2007Get full text
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Fast accurate diphone-based phoneme recognition
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Tττ-framework for the evaluation and improvement of phase behaviour description with the NRTL activity coefficient model
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Regulatory networks in non-small cell lung cancer: Connecting differentially expressed genes, miRNAs, and incRNAs
Published 2016“…A systems approach can help simulate interactions between these elements. In this study 110 microarray samples from NSCLC patients were analyzed by computational methods to identify differentially expressed genes in two tissue types: NSCLC and normal lung tissue. …”
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ECHAM4.5 global circulation model as a seasonal forecasting system for southern Africa : coupled vs. uncoupled
Published 2016Get full text
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A study on the response of a target plate to a foreign object placed at various depths in a cylindrical Charge
Published 2024“…Three different charge masses with varying placements of the ball bearing were investigated. Computational simulations, validated using experimental data, were used to elucidate additional details to gain insight about the momentum transfer during the blast event. …”
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Coupled fully three-dimensional mathematical modelling of sediment deposition and erosion in reservoirs
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Measuring the effects of reaction coordinate and electronic treatments in the QM/MM reaction dynamics of Trypanosoma cruzi trans-sialidase
Published 2017“…In order to carry out these simulations Free Energies from Adaptive Reaction Coordinates Forces was ported as a Fortran 90 library that interfaces with the NWChem molecular dynamics package. …”
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Scattering in soliton models and crossing symmetry
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Classical, quantum and numerical aspects of modified theories of gravity
Published 2024“…Then, we perform the evolution of a massless scalar field in the context of the Starobinsky gravity model and show that damped oscillations arise for subcritical simulations.…”
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