smina Discussion

Scoring and Minimization with AutoDock Vina

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Compiling smina on macosx m1 arm64? By Kalen Josifovski on Fri Nov 08, 2024 05:03 PM	5	286	By David Koes on Sun Nov 10, 2024 01:59 PM
Reducing van der Waals radius By Yutaro Hirono on Tue Sep 10, 2024 06:08 AM	5	111	By Yutaro Hirono on Thu Sep 12, 2024 01:23 AM
reproducibility problem: `--local_only` and `--minimize` By Sang-Yeon Hwang on Tue Jul 09, 2024 01:49 AM	2	139	By David Koes on Wed Jul 10, 2024 09:32 PM
Ligand minimization By Sherif Elsabbagh on Thu Mar 21, 2024 07:30 AM	3	184	By Sherif Elsabbagh on Thu Mar 21, 2024 01:39 PM
PDBQT results to SDF By Maciej on Tue Mar 12, 2024 10:55 AM	7	361	By Maciej on Fri Mar 15, 2024 11:28 AM
How to use --addH By Ivan Voiteshenko on Sat Feb 24, 2024 09:08 PM	4	166	By David Koes on Sun Feb 25, 2024 03:34 PM
Numer of Modes By Maciej on Mon Dec 04, 2023 01:48 PM	4	149	By Maciej on Tue Dec 05, 2023 09:15 AM
Smina Scoring Functions By Maciej on Wed Nov 22, 2023 09:49 AM	3	220	By Maciej on Thu Nov 23, 2023 10:57 AM
smina SDF files problems with ProLif and RdKit By Syed Zayyan on Fri Jun 30, 2023 12:31 PM	8	278	By Syed Zayyan on Fri Jun 30, 2023 02:10 PM
Running smina on PyRx 0.9.2 By Phung Hien Le on Sun Jun 11, 2023 10:17 AM	2	99	By David Koes on Sun Jun 11, 2023 02:04 PM
does the minimization calculation with the --minimize flag include th... By charlie clark on Fri Apr 21, 2023 02:09 PM	5	231	By David Koes on Thu Apr 27, 2023 03:13 PM
Meaning of the results with --minimize By Lars Dornfeld on Wed Apr 26, 2023 10:54 AM	1	164	By Lars Dornfeld on Wed Apr 26, 2023 10:54 AM
flexible sidechains code flaw By Visvaldas Kairys on Wed Dec 29, 2021 01:25 PM	13	944	By Jed Goldstone on Wed Mar 08, 2023 01:59 AM
An internal error ocurred By Aaron E. Jaime on Thu Nov 17, 2022 06:00 AM	4	301	By David Koes on Mon Nov 28, 2022 04:21 PM
The pretreatment of receptor proteins by autodock and smina is differ... By Anna Cooper on Mon Oct 10, 2022 01:35 PM	8	267	By Tao on Wed Nov 16, 2022 02:16 AM
Covalent Docking By Arnie Hagler on Sun Jul 05, 2020 08:55 PM	9	997	By David Koes on Mon Oct 24, 2022 05:54 PM
Why is smina faster than vina for the score_only and local_only mode? By Xu Youjun on Thu Sep 29, 2022 09:59 AM	2	340	By David Koes on Thu Sep 29, 2022 12:25 PM
Does scoring function involve temperature? By Anna Cooper on Mon Aug 22, 2022 02:47 PM	4	175	By David Koes on Tue Aug 23, 2022 12:13 PM
New atom types By Fernando Davó Miralles on Tue May 12, 2020 10:23 PM	9	797	By David Koes on Fri Jul 15, 2022 12:10 PM
parse error By Thomas Vargo on Thu May 12, 2022 03:25 PM	2	1048	By Thomas Vargo on Tue May 17, 2022 02:06 PM
samina internal error By Malai on Thu May 05, 2022 12:11 PM	6	484	By David Koes on Tue May 10, 2022 01:27 AM
Constrained minimization of docked ligand By Xu Youjun on Sat Apr 23, 2022 03:48 PM	6	292	By David Koes on Sat Apr 23, 2022 05:25 PM
How to add the exclude volume? By Xu Youjun on Wed Feb 16, 2022 04:01 AM	5	148	By Xu Youjun on Sat Apr 23, 2022 07:20 AM
full ad4 scoring terms By Marawan Ahmed on Fri Apr 22, 2022 06:03 AM	2	152	By David Koes on Fri Apr 22, 2022 11:53 AM
Is there a way to extract purely intermolecular interactionbject) By Visvaldas Kairys on Wed Apr 06, 2022 04:00 PM	4	294	By David Koes on Thu Apr 07, 2022 12:36 PM

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