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[ 原始碼: autodocksuite  ]

套件: autodock (4.2.3-2)

autodock 的相關超連結

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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.

標籤: 領域: 生物學, 結構生物學, 實做語言: implemented-in::c, interface::commandline, 角色: 程式, 範圍: 實用程式, Purpose: use::analysing, works-with-format::TODO, 處理: 3D 模型, 需要一個額外的標籤

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下載 autodock

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硬體架構 套件大小 安裝後大小 檔案
i386 164.6 kB448.0 kB [文件列表]