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primaryodors
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primarydock
PrimaryOdors.org molecular docker.
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Pnictogen protonation.
#161
electronicsbyjulie
closed
1 year ago
1
Prediction keeps writing the same few pairs if cronned.
#160
electronicsbyjulie
closed
1 year ago
0
Phenols to remain planar.
#159
electronicsbyjulie
closed
1 year ago
1
Move data files into the data folder.
#158
electronicsbyjulie
closed
1 year ago
0
Phenols should also remain coplanar.
#157
primaryodors
closed
1 year ago
2
Metal bindings of ORs.
#156
electronicsbyjulie
closed
1 year ago
1
Odorant page: list indicates receptors w/o sufficient data.
#155
electronicsbyjulie
closed
1 year ago
0
Filtering options on receptors list.
#154
electronicsbyjulie
closed
1 year ago
0
Skeletal formula.
#153
primaryodors
closed
1 year ago
0
Ligand leapfrog
#152
electronicsbyjulie
closed
1 year ago
1
VNRs are broken in web app.
#151
primaryodors
closed
1 year ago
0
Viewer: Visually indicate the name of a loaded protein model.
#149
electronicsbyjulie
opened
1 year ago
1
Look into why this line breaks the TAAR8 test.
#148
primaryodors
closed
1 year ago
1
Functionality to α-helix the EXR2 domain + Zn ion.
#147
electronicsbyjulie
closed
1 year ago
5
Move water molecules in a path based dock.
#146
primaryodors
closed
1 year ago
2
Water in the binding pocket.
#145
electronicsbyjulie
closed
1 year ago
0
TMR3 - TMR5 insertion method.
#144
electronicsbyjulie
closed
1 year ago
0
Ligands list fix.
#143
electronicsbyjulie
closed
1 year ago
0
OR2T11-style copper binding sites.
#142
electronicsbyjulie
closed
1 year ago
0
Tabbed interfaces in web app.
#141
electronicsbyjulie
closed
1 year ago
0
New protein tool.
#140
electronicsbyjulie
closed
1 year ago
0
Misatke in odorant EC50 values.
#139
electronicsbyjulie
closed
1 year ago
0
Web app.
#138
electronicsbyjulie
closed
1 year ago
0
The drift is pulling ligands away from established binding sites.
#137
electronicsbyjulie
opened
1 year ago
4
TAAR predictions.
#136
electronicsbyjulie
closed
1 year ago
2
Identify bottlenecks/find ways to streamline the intermolecular dock.
#135
electronicsbyjulie
opened
2 years ago
0
Replace all Ballesteros-Weinstein numbering with GPCRdb numbering.
#134
electronicsbyjulie
opened
2 years ago
0
EXR path dock prediction.
#133
electronicsbyjulie
closed
1 year ago
7
New oralign tool: protein sequence alignment.
#132
electronicsbyjulie
closed
2 years ago
0
Look into this article re clash distances, see if can be useful.
#131
electronicsbyjulie
opened
2 years ago
0
Fix OR51E2/acetate vsa bug. #129
#130
electronicsbyjulie
closed
2 years ago
1
Predictions: dock.php thinks acetic acid is a 51E2 non-agonist!?
#129
electronicsbyjulie
closed
2 years ago
0
Predictions: The extrapolated active conformation is incorrect.
#128
electronicsbyjulie
closed
1 year ago
2
Show protein conformational changes in viewer.
#127
electronicsbyjulie
closed
2 years ago
0
Sync commits from local stable branch.
#126
electronicsbyjulie
closed
2 years ago
1
Compiler optimizations.
#125
electronicsbyjulie
opened
2 years ago
0
Upright fix.
#124
electronicsbyjulie
closed
2 years ago
0
Multiple scripting commands including REGION and CENTER.
#123
electronicsbyjulie
closed
2 years ago
1
Scripting: Arrays and/or $$varname syntax.
#122
electronicsbyjulie
closed
2 years ago
0
Check ability to load PDBs from multiple sources.
#121
electronicsbyjulie
opened
2 years ago
0
PrimaryDock sometimes incorrectly reports 0 poses found.
#120
primaryodors
closed
2 years ago
0
Merge some of the code from the prediction branch.
#119
electronicsbyjulie
closed
2 years ago
0
Ability to dock dimers.
#118
primaryodors
opened
2 years ago
3
Efforts towards a prediction algorithm, part II.
#117
electronicsbyjulie
closed
2 years ago
9
Efforts towards a prediction algorithm.
#116
electronicsbyjulie
closed
2 years ago
1
Better handling of clashes for differential docking.
#115
electronicsbyjulie
closed
2 years ago
0
Config params can now be given on the command line.
#114
electronicsbyjulie
closed
2 years ago
0
Clash calculations in differential dock.
#113
primaryodors
closed
2 years ago
1
Backbone nitrogens and amide nitrogens do not act as H-bond acceptors.
#112
electronicsbyjulie
closed
2 years ago
1
Differential energy computation.
#111
electronicsbyjulie
closed
2 years ago
0
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