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Docking
Management
Analysis
Handbook
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Docking
Management
Analysis
Handbook
Contact
workshop
ligand
protein
binding site
1. Prepare the ligand:
upload a pdb file
or
draw a ligand
status:
Background:
white
black
Label:
hide
show
RESET
ZOOM
SPIN
SCREENSHOT
FULLSCREEN
2. Prepare the protein:
upload a pdb file
or
status:
Background:
white
black
Display:
cartoon
surface
line
licorice
RESET
ZOOM
SPIN
SCREENSHOT
FULLSCREEN
3. Define binding site:
get started
Background:
white
black
Display:
cartoon
surface
line
licorice
Opacity:
100%
80%
60%
40%
20%
0%
Binding Site Parameters
Size x:
-
+
Size y:
-
+
Size z:
-
+
Center x:
-
+
Center y:
-
+
Center z:
-
+
Method:
defined by customized settings
center on a ligand
center on some key residues
center on a possible active site
Go to submit
upload a ligand pdb file
Generate parameters of box base on the coordinate and structure of ligand automatically.
Residue Name:
Chain Name:
Ordinal Number:
Add
confirm
cancel
center on pockets
clear all
4. Submit
This section is available only after the preparation has been done.
name
company
email
check
code
submit
close
YES
NO
e
+
e
−
C
H
N
O
P
S
F
Cl
Br
I
...
Submit
Periodic Table
