Thread Author Last Post Replies

Invalid scores when setting distance constraint from cofactor to substrate, ligand to be docked

Anonymous
Mon, 15 Jul 2019 17:58:20 GMT
Anonymous
5

GoldMine functions using the CSD API

GOLD Goldmine 
Jordan McCone
Tue, 02 Apr 2019 20:04:41 GMT
Jordan McCone
5

Script to merge GOLD docking results

Paul Sanschagrin
Tue, 26 Feb 2019 09:12:20 GMT
Richard Sykes [CCDC Staff]
2

distance constraint from fixed cofactor to substrate (ligand to be docked)

Anonymous
Mon, 26 Nov 2018 17:09:50 GMT
Anonymous
14

Renumbering Atoms in mol2 files to create specific constraints for GOLD Docking

Suliman Sharif
Sat, 22 Apr 2017 05:43:31 GMT
Suliman Sharif
0

Script to compare protein bound ligand conformations to CSD Conformer

Alicia Higueruelo
Fri, 11 Dec 2015 14:06:23 GMT
Alicia Higueruelo
1

Script to filter molecular conformers with unusual torsion angles

Paul Sanschagrin
Mon, 06 Jul 2015 14:04:43 GMT
Paul Sanschagrin
0

Script to extract unique rings of a specified size from the CSD

Christin Schaerfer
Mon, 06 Jul 2015 10:52:42 GMT
Christin Schaerfer
0

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