Interaction graph which implements a non-PD score that optimizes against surface hydrophobic patches. Computational Protein Design with Explicit Consideration of Surface Hydrophobic Patches. R. Jacak, A. Leaver-Fay, and B. Kuhlman. Proteins. 2012 Mar;80(3):825-38.
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struct | core::pack::interaction_graph::exposed_hydrophobic_data |
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class | core::pack::interaction_graph::HPatchNode< V, E, G > |
| Defines a FirstClass node which will keep track of changes in the SASA and hpatch score. FirstClassNode is defined and implemented in AdditionalBackgroundNodesInteractionGraph. More...
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class | core::pack::interaction_graph::HPatchBackgroundNode< V, E, G > |
| Defines a Background Node which will contribute to changes in SASA/hpatchE due to state changes on neighboring nodes, and not because of state changes to it. No default constructor makes this class uncopyable. More...
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class | core::pack::interaction_graph::HPatchEdge< V, E, G > |
| Defines a HPatch Edge which connects two first-class HPatch Nodes. Edges have to keep some state so that updates to SASA and the hpatch score can be done fast. More...
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class | core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G > |
| Defines an edge between a FirstClass (HPatchNode) and a background node (HPatchBackgroundNode) More...
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class | core::pack::interaction_graph::HPatchInteractionGraph< V, E, G > |
| Defines the interaction graph that will keep track of changes to the hpatch score. More...
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class | core::pack::interaction_graph::HPatchNode< V, E, G > |
| Defines a FirstClass node which will keep track of changes in the SASA and hpatch score. FirstClassNode is defined and implemented in AdditionalBackgroundNodesInteractionGraph. More...
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class | core::pack::interaction_graph::HPatchBackgroundNode< V, E, G > |
| Defines a Background Node which will contribute to changes in SASA/hpatchE due to state changes on neighboring nodes, and not because of state changes to it. No default constructor makes this class uncopyable. More...
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class | core::pack::interaction_graph::HPatchEdge< V, E, G > |
| Defines a HPatch Edge which connects two first-class HPatch Nodes. Edges have to keep some state so that updates to SASA and the hpatch score can be done fast. More...
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class | core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G > |
| Defines an edge between a FirstClass (HPatchNode) and a background node (HPatchBackgroundNode) More...
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class | core::pack::interaction_graph::HPatchInteractionGraph< V, E, G > |
| Defines the interaction graph that will keep track of changes to the hpatch score. More...
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Interaction graph which implements a non-PD score that optimizes against surface hydrophobic patches. Computational Protein Design with Explicit Consideration of Surface Hydrophobic Patches. R. Jacak, A. Leaver-Fay, and B. Kuhlman. Proteins. 2012 Mar;80(3):825-38.
- Author
- Ron Jacak (ron.j.nosp@m.acak.nosp@m.@gmai.nosp@m.l.co.nosp@m.m)
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Andrew Leaver-Fay