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primaryodors
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primarydock
PrimaryOdors.org molecular docker.
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vdW bond distance is too large.
#293
electronicsbyjulie
closed
1 year ago
6
couple.pepd: After homology, bend EXR ends of helices inward to make internal contacts.
#292
electronicsbyjulie
closed
1 year ago
1
Expand the prediction system to include arrestins.
#291
primaryodors
opened
1 year ago
1
Coupled Homology
#290
electronicsbyjulie
closed
1 year ago
12
couple.pepd
#289
electronicsbyjulie
closed
1 year ago
1
Arginine SDF is slightly off.
#288
primaryodors
closed
1 year ago
0
Hydrogenation is failing to observe coplanar rules.
#287
electronicsbyjulie
closed
1 year ago
5
More cron stuff.
#286
electronicsbyjulie
closed
1 year ago
16
Better conservation search.
#285
electronicsbyjulie
closed
1 year ago
0
Tool for examining conserved residues.
#284
electronicsbyjulie
closed
1 year ago
1
Prioritize certain pairs in cron for test purposes.
#283
electronicsbyjulie
closed
1 year ago
1
Pepteditor: Helix function is warping side chains.
#282
electronicsbyjulie
opened
1 year ago
2
G-protein coupling only works for ORs.
#281
electronicsbyjulie
closed
1 year ago
1
Confidence level in predictions.
#280
electronicsbyjulie
opened
1 year ago
0
CPU temperature monitoring and process throttling.
#279
electronicsbyjulie
closed
1 year ago
0
Allow `ACVTH.rgn` as a valid `$metrics_to_process` in methods.common.php.
#278
primaryodors
opened
1 year ago
0
Bias by energy in methods_common.php
#277
primaryodors
opened
1 year ago
0
Odorant Binding Proteins
#276
primaryodors
opened
1 year ago
2
Probability-based conformer search
#275
primaryodors
opened
1 year ago
1
The binding pocket of OR5K1
#274
electronicsbyjulie
opened
1 year ago
0
pKa shifts of nitrogenous aromatic heterocycles.
#273
electronicsbyjulie
opened
1 year ago
2
Detect opportunities to improve placement of TMRs in coupled model.
#272
electronicsbyjulie
closed
1 year ago
0
Bring back molecular "ESP" but rename it "lookahead".
#271
electronicsbyjulie
opened
1 year ago
0
Redo coupled PDBs with template enabled.
#270
electronicsbyjulie
closed
1 year ago
0
Allyl phenylacetate fails to dock in in OR1A1.
#269
electronicsbyjulie
closed
1 year ago
1
G-protein based reshaping
#268
electronicsbyjulie
closed
1 year ago
22
Revised amino acid similarity function.
#267
electronicsbyjulie
closed
1 year ago
1
Amino tests are failing.
#266
primaryodors
closed
1 year ago
3
Utility for examining conservation of residues.
#265
electronicsbyjulie
closed
1 year ago
0
Move pepteditor's raise_error() ftn to an include file.
#264
electronicsbyjulie
opened
1 year ago
0
Unit tests.
#263
electronicsbyjulie
closed
1 year ago
11
Preferentially coordinate ligand aldehydes to basic side chains.
#262
electronicsbyjulie
closed
1 year ago
0
Limit output residues to 5A and flexed.
#261
electronicsbyjulie
closed
1 year ago
1
The path to predictions
#260
electronicsbyjulie
closed
1 year ago
21
Fix binding energy of nitrogenous hydrogen bonds.
#259
primaryodors
closed
1 year ago
1
Adjust best binding algorithm to preferentially pair ligand aldehydes with basic side chains.
#258
primaryodors
opened
1 year ago
2
Create Master and Express unit tests.
#257
primaryodors
closed
1 year ago
2
Keep an eye on these new cryo-EM models.
#256
primaryodors
closed
1 year ago
3
Reduce number of residues in dock output.
#255
primaryodors
closed
1 year ago
0
Enhancements to best-binding selection.
#254
electronicsbyjulie
closed
1 year ago
37
Rename glom to group. #248
#253
electronicsbyjulie
closed
1 year ago
1
Data entry utility - Do Not Merge.
#252
primaryodors
opened
1 year ago
0
Retire unused features.
#251
primaryodors
opened
1 year ago
0
Fixes for best binding pullaway bug.
#250
electronicsbyjulie
closed
1 year ago
2
Trap segfaults and serialize dock results for recovery.
#249
electronicsbyjulie
opened
1 year ago
0
Rename "glom" to Group.
#248
primaryodors
closed
1 year ago
0
Keep separate heavy and non-heavy rot bond caches.
#247
primaryodors
closed
1 year ago
2
Pepteditor: Replace MCOORD with an all-purpose atom/molecule addition feature.
#246
primaryodors
opened
1 year ago
0
Config files for docking according to literature.
#245
primaryodors
closed
9 months ago
0
Metal coordination in dock config file.
#244
electronicsbyjulie
closed
1 year ago
20
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