eLxr packages [ bianca ]
[ ソース: autodocksuite ]
パッケージ: autodock (4.2.6-9)
autodock に関するリンク
autodocksuite ソースパッケージをダウンロード:
メンテナ:
外部の資源:
- ホームページ [autodock.scripps.edu]
類似のパッケージ:
analysis of ligand binding to protein structure
AutoDock is a prime representative of the programs addressing the simulation of the docking of fairly small chemical ligands to rather big protein receptors. Earlier versions had all flexibility in the ligands while the protein was kept rather ridgid. This latest version 4 also allows for a flexibility of selected sidechains of surface residues, i.e., takes the rotamers into account.
The AutoDock program performs the docking of the ligand to a set of grids describing the target protein. AutoGrid pre-calculates these grids.
その他の autodock 関連パッケージ
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- dep: libc6 (>= 2.29)
- GNU C Library: Shared libraries
以下のパッケージによって提供される仮想パッケージでもあります: libc6-udeb
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- dep: libgcc-s1 (>= 3.3.1)
- GCC support library
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- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
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- sug: autogrid
- pre-calculate binding of ligands to their receptor