caver 3.0 Tunnels and channels
Tunnels and channels facilitate the transport of small molecules, ions and water solvent in a large variety of proteins. Characteristics of individual transport pathways, including their geometry, physico-chemical properties and dynamics are instrumental for understanding of structure-function relationships of these proteins, for the design of new inhibitors and construction of improved biocatalysts. CAVER is a […]
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Adapting Scientific Software and Designing Algorithms for Next Generation GPU Computing Platforms
ver_ http://www.ks.uiuc.edu/Research/gpu/files/siam2019-softnextgenplatforms-stone.pdf
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