Timeline for Is there a formula to tell how many conformers of a molecule to generate?
Current License: CC BY-SA 3.0
11 events
| when toggle format | what | by | license | comment | |
|---|---|---|---|---|---|
| Aug 14, 2019 at 9:54 | answer | added | Orr22 | timeline score: 3 | |
| Sep 9, 2016 at 8:17 | vote | accept | Francois BERENGER | ||
| Sep 9, 2016 at 8:17 | vote | accept | Francois BERENGER | ||
| Sep 9, 2016 at 8:17 | |||||
| Sep 7, 2016 at 3:07 | answer | added | Jacob Nowatzke | timeline score: 5 | |
| Aug 18, 2016 at 13:28 | comment | added | Deathbreath | If you are docking, shouldn't you be more concerned whether you find the lowest energy docked conformer(s)? Since the PES is very rough w.r.t. conformation, you would probably use a stochastic optimizer. Depending on the optimizer, the optimization path itself gives you an idea of the density of states (if your interested in free energies for instance). | |
| Aug 12, 2016 at 11:58 | history | tweeted | twitter.com/StackChemistry/status/764068605327581184 | ||
| Aug 12, 2016 at 8:20 | answer | added | user33719 | timeline score: 7 | |
| Aug 11, 2016 at 18:57 | history | edited | Geoff Hutchison | CC BY-SA 3.0 |
added 4 characters in body
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| Aug 11, 2016 at 18:54 | answer | added | Geoff Hutchison | timeline score: 19 | |
| Aug 11, 2016 at 12:42 | review | First posts | |||
| Aug 11, 2016 at 13:06 | |||||
| Aug 11, 2016 at 12:38 | history | asked | Francois BERENGER | CC BY-SA 3.0 |