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I think we can find a published list of some proteins with large conformational changes and spin off simulations of these and run through the analysis. Correlations between angles with large direction…
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**Defect Description**:
In all the pages of "Conformational analysis of 1,2-dichloroethane" experiment, in the URL numbering for this experiment is given as exp9. Where as this is the 6th experiment i…
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**Defect Description**:
In the Quizzes page of "Conformational analysis of 1,2-dichloroethane" experiment, Cancel button is not provided. Need to provide the Cancel button in order to reset the option…
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Defect Description : When we click on hyperlink 1)Alex A. Granovsky, Firefly version 7.1.G, at http://classic.chem.msu.su/gran/firefly/index.php given under Further readings an error is displayed. T…
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## *Hosting Request*
Use this to request the hosting of an already registered lab or experiment. If the lab or experiment is not registered, please do that by raising a registration request.
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_From @Diazonium on March 18, 2017 20:24_
It would be very useful to be able to batch-generate inputs for Gaussian, when you have a multi-molecule file loaded, for example when you want to do conform…
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Check following papers:
- [ ] [AlphaFold2 can predict single-mutation effects](https://www.biorxiv.org/content/10.1101/2022.04.14.488301v5)
- [ ] [Using AlphaFold to predict the impact of single m…
kntkb updated
10 months ago
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Just tried to run the tutorial example -- looks like the module import isn't correct?
I was using python3 -- does BICePs still use python2?
```
BICePs - Bayesian Inference of Conformational Pop…
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Update 07/02/2020:
I have manually looked through all the data sets focusing on the Cluster 6 and 15 pockets and couldn’t see anything bound in these sites.
We are currently dealing with some chall…
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[Kollman, Peter A., Irina Massova, Carolina Reyes, Bernd Kuhn, Shuanghong Huo, Lillian Chong, Matthew Lee, et al. “Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Me…
cramg updated
3 years ago