NAMD2

swMATH9642MaRDI QIDQ21621FDOQ21621

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Cited In (17)

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• Nonuniform Fourier transforms for rigid-body and multidimensional rotational correlations
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• Membrane protein stability analyses by means of protein energy profiles in case of nephrogenic diabetes insipidus
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• NAMD2: Greater scalability for parallel molecular dynamics
• Using piecewise polynomials for faster potential function evaluation
• Revisiting and parallelizing SHAKE
• Algorithmic challenges in computational molecular biophysics
• Dynamics of sialyl Lewis\(^{\mathrm a}\) in aqueous solution and prediction of the structure of the sialyl Lewis\(^{\mathrm a}\)-SelectinE complex
• The effect of loading on surface roughness at the atomistic level
• The Sigma MD programm and a generic interface applicable to multi-functional programs with complex, hierarchical command structure
• Modal reduction of mathematical models of biological molecules
• Optimised Recovery with a Coordinated Checkpoint/Rollback Protocol for Domain Decomposition Applications
• Multiresolution molecular mechanics: adaptive analysis
• Coupled Navier-Stokes - molecular dynamics simulations using a multi-physics flow simulation framework

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