套件：autodock（4.2.6-9） [debports]
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.
其他與 autodock 有關的套件
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- dep: libc6.1 (>= 2.33)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6.1-udeb
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- dep: libgcc-s1 (>= 4.2)
- GCC 支援函式庫
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- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
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- dep: libunwind8
- library to determine the call-chain of a program - runtime
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- sug: autogrid
- pre-calculate binding of ligands to their receptor