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Published in 2019 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.25695
Abstract: This article is dedicated to the computation of a parametric representation of solvent excluded surfaces and isosurfaces by smooth four-sided patches. Such surface representations allow for the isoparametric discretization of the boundary integral equations which…
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Keywords:
parametric representation;
representation molecular;
molecular surfaces;
chemistry ... See more keywords
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Published in 2017 at "Chemical communications"
DOI: 10.1039/c7cc90389h
Abstract: The 2017 Faraday Discussion on Complex Molecular Surfaces and Interfaces brought together theoreticians and experimentalists from both physical and chemical backgrounds to discuss the relevant applied and fundamental research topics within the broader field of…
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Keywords:
molecular surfaces;
complex molecular;
exploring science;
faraday discussion ... See more keywords
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Published in 2019 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms20205158
Abstract: Molecular visualization is often challenged with rendering of large molecular structures in real time. The key to LOD (level-of-detail), a classical technology, lies in designing a series of hierarchical abstractions of protein. In the paper,…
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Keywords:
representations molecular;
ellipsoidal abstract;
illustrative representations;
molecular surfaces ... See more keywords