Place to jot ideas Plot percentage of density to evaluate which candidates really ore H bonds. Measure lengthen of bifurcated bonds. Correlate H bond lengths at surface ...
Here are some rigidity questions that we are working on: ProteinAllostery: can rigidity analysis for some set of bonds give a model for an allosteric interaction in ...
Running OptE on UNC clusters: OptEOnTopsail OptEOnBass HbondPapers ResearchIdeasJotPad Previous work by Chris Sheldahl: Main.ChrisProgress Implemented ideas to ImproveHbonds ...
TOC Planned meetings 6 Dec: Glenn Butterfoss Brian Kuhlmann, more on protein voids Past meetings 22 Nov: Craig Bennetts Jack Snoeyink, estimating protein voids We ...
This question is partially addressed in RotamerTrie Main.JackSnoeyink 02 Apr 2005 Rotamer Energy Calculation Main.AndrewLeaverFay 21 Feb 2005 Problem: minimize ...
A topic under OptimizingRosetta TOC We should try to submit to WABI, April 20. This will take some work... The basic idea is described in Hellinga's paper, so we need ...
Phil Bradley has done some preliminary work on including explicit waters into rosetta. I will begin by looking at his work with the goal of being able to present ...