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Compare a Pair of Molecules
Compare a Batch of Molecules
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Tutorial
Interactive Demo
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Singh Lab
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Sample Binding Site
Structures in the Demo
Users are encouraged to refer to the Tutorial before using the web-server
Feature Option:
Use steric features (shape) for comparisons
Use steric features and charges for combined score comparisons
Compute similarities using both of the above methods separately
Option 1: pre-selected pair to compare:
-- None --
Compare 1bk0A and 1odmA (active)
Compare 1bk0A and 2y60A (active)
Compare 1gosA and 2bxrA (active)
Compare 2bxsA and 1o5wA (active)
Compare 1pwmA and 1qiqA (inactive)
Compute 2y60A and 2zc9H (inactive)
Compare 2bxrA and 2z87B (inactive)
Compare 2z3yA and 2bxrA (inactive)
Option 2: select the molecules you want to compare:
Select the first molecule:
-- None --
1bk0A
1bn4A
1odmA
1pwmA
1qiqA
2bxrA
2y60A
2zc9H
2zdaH
2zf0H
Select the second molecule:
-- None --
1bk0A
1bn4A
1odmA
1pwmA
1qiqA
2bxrA
2y60A
2zc9H
2zdaH
2zf0H
Submit
Click here to view the results