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Protein Tunnel Reprojection for Physico-Chemical Property Analysis
[article]
2017
Eurographics Workshop on Visual Computing for Biomedicine
Cavities are crucial for interactions of proteins with other molecules. While a variety of different cavity types exists, tunnels in particular play an important role, as they enable a ligand to deeply enter the active site of a protein where chemical reactions can undergo. Consequently, domain scientists are interested in understanding properties relevant for binding interactions inside molecular tunnels. Unfortunately, when inspecting a 3D representation of the molecule under investigation,
doi:10.2312/vcbm.20171231
dblp:conf/vcbm/MalzahnKR17
fatcat:waaft2jp35h6bfoxtwveuoqb4e