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| tutorials:tutorials [2020/07/21 12:43] – richter | tutorials:tutorials [2020/07/21 14:59] (current) – [Tutorials] wade |
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| ? [[http://projects.h-its.org/mcm/projects/uppsala|3DFS]] | ? [[http://projects.h-its.org/mcm/projects/uppsala|3DFS]] |
| :3DFS to do a flexible ligand pharmacophore search (June 3-4, 2002) | :3DFS to do a flexible ligand pharmacophore search (June 3-4, 2002) |
| ? [[https://kbbox.h-its.org/toolbox/tutorials/|Tutorials for rate calculations]] | ? [[https://kbbox.h-its.org/toolbox/tutorials/|Tutorials for binding kinetics calculations]] |
| :Additional tutorials to perform binding rate calculations. | :These include tutorials for tauRAMD computations of relative residence times, COMBINE analysis for quantitative structure-kinetic relationships (QSKRs), SDA for bimolecular diffusional association rate constants, R for multiple linear regression to derive QSKRs, and Berkeley Madonna for pharmacokinetics. |
