About the Docking@Home Science

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Protein-Ligand Docking
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Model Animation
View Protein-Ligand Docking
Docking Algorithm

Docking

Docking is a molecular modeling method which predicts the preferred orientation of one molecule binding to another. Knowing the preferred orientation of these two molecules allows scientists to also predict how tightly they will bind. We perform docking simulations on small molecule drug candidates, which we call ligands, and their target proteins inside the human body in order to predict how affective the ligand might be in a drug. After the docking simulation, well-docked protein-ligand complexes are produced in experimental laboratories for testing.

Targets

Click on the image for a 3D representation of the ligand. Note: These are 2MB+, so they make take a few seconds to load.

P38 alpha
Target 1bl6
1bl6
Target 1bl7
1bl7
Target 1di9
1di9
Target 1kv1
1kv1
Target 1kv2
1kv2
Target 1ouk
1ouk
Target 1ouy
1ouy
Target 1oz1
1oz1
Target 1w83
1w83
Target 1w84
1w84
Target 1yqj
1yqj
Trypsin
Target 1c1r
1c1r
Target 1c2d
1c2d
Target 1c5p
1c5p
Target 1c5q
1c5q
Target 1c5s
1c5s
Target 1c5t
1c5t
Target 1ce5
1ce5
Target 1g36
1g36
Target 1ghz
1ghz
Target 1gi1
1gi1
Target 1gi4
1gi4
Target 1gi6
1gi6
Target 1gj6
1gj6
Target 1k1i
1k1i
Target 1k1j
1k1j
Target 1k1l
1k1l
Target 1k1m
1k1m
Target 1k1n
1k1n
Target 1ppc
1ppc
Target 1pph
1pph
Target 1qb6
1qb6
Target 1tpp
1tpp
Target 1xug
1xug
Target 2bza
2bza
Target 3ptb
3ptb
HIV Proteases
Target 1hvi
1hvi
Target 1hvj
1hvj
Target 1ajv
1ajv
Target 1ajx
1ajx
Target 1c70
1c70
Target 1d4h
1d4h
Target 1d4i
1d4i
Target 1d4j
1d4j
Target 1dif
1dif
Target 1ebw
1ebw
Target 1ebz
1ebz
Target 1g2k
1g2k
Target 1g2k
1g2k
Target 1g35
1g35
Target 1gno
1gno
Target 1hbv
1hbv
Target 1hih
1hih
Target 1hps
1hps
Target 1hpv
1hpv
Target 1hpx
1hpx
Target 1hsg
1hsg
Target 1htf
1htf
Target 1hvk
1hvk
Target 1hvl
1hvl
Target 1iiq
1iiq
Target 1m0b
1m0b
Target 1ohr
1ohr
Target 1t7k
1t7k
Target 2bpv
2bpv
Target 2bpy
2bpy

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Learn more about Docking@Home terminology in the Glossary

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