|
Force field for system with Dansyl-cystine
|
|
1
|
71
|
January 8, 2021
|
|
Visualization of docking results
|
|
8
|
58
|
January 7, 2021
|
|
Can I do not penalise the unused active residues?
|
|
3
|
61
|
January 1, 2021
|
|
Can the pdb-tools web portal be linked, instead of the github?
|
|
2
|
51
|
January 1, 2021
|
|
Active-passive-to-ambig.py has "ValueError: need more than 1 value to unpack"
|
|
5
|
53
|
December 29, 2020
|
|
Successive docking
|
|
1
|
81
|
December 28, 2020
|
|
Residues numbering in PDB file
|
|
12
|
72
|
December 23, 2020
|
|
Ab initio ligand docking to a certain part of the protein
|
|
1
|
74
|
December 8, 2020
|
|
Insulin Docking
|
|
7
|
73
|
December 8, 2020
|
|
Input vs. output hydrogen atom names
|
|
5
|
155
|
December 7, 2020
|
|
Structure with a Ca Mn Cluster
|
|
1
|
63
|
December 3, 2020
|
|
Negative ion in the pdb
|
|
5
|
83
|
December 2, 2020
|
|
Ab initio protein-protein docking
|
|
4
|
132
|
December 2, 2020
|
|
Input Parameters for docking with 3 molecules
|
|
5
|
74
|
November 30, 2020
|
|
Your HADDOCK run has encountered errors and was aborted
|
|
4
|
269
|
November 27, 2020
|
|
Outputs miss some hydrogen atoms in protein
|
|
3
|
65
|
November 26, 2020
|
|
Refinement with HADDOCK
|
|
1
|
77
|
November 26, 2020
|
|
What is, in general, a "good" score?
|
|
4
|
1707
|
November 25, 2020
|
|
How to put restrain for docking protein with palmitic group with other protein
|
|
4
|
77
|
November 23, 2020
|
|
Glycoprotein numbering
|
|
7
|
131
|
November 21, 2020
|
|
Receptor-Peptide docking - Flexibility of Peptide
|
|
6
|
78
|
November 20, 2020
|
|
Guru and Expert privileges
|
|
1
|
88
|
November 19, 2020
|
|
Docked ligand structure produced by HADDOCK was incomplete
|
|
2
|
70
|
November 18, 2020
|
|
OSError: [Errno 13] Permission denied
|
|
4
|
220
|
November 17, 2020
|
|
Prediction of residues binding to the target protein
|
|
1
|
77
|
November 17, 2020
|
|
Solvated Docking Mode Error
|
|
2
|
67
|
November 16, 2020
|
|
A difference in HADDOCK scores, RMSD and Z-scores for the identical protein-protein complex run multiple times
|
|
5
|
113
|
November 16, 2020
|
|
Results analysis - water refinement - complex_Nw.fail
|
|
2
|
82
|
November 13, 2020
|
|
No module named Haddock.Analysis
|
|
4
|
83
|
November 12, 2020
|
|
Defining active residue
|
|
2
|
97
|
November 9, 2020
|
