软件包：autodock-vina（1.2.5-2 以及其他的） [debports]
docking of small molecules to proteins
AutoDock Vina is a program to support drug discovery, molecular docking and virtual screening of compound libraries. It offers multi-core capability, high performance and enhanced accuracy and ease of use.
The same institute also developed autodock, which is widely used.
O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 (2010) 455-461
其他与 autodock-vina 有关的软件包
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- dep: libboost-filesystem1.83.0 (>= 1.83.0)
- filesystem operations (portable paths, iteration over directories, etc) in C++
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- dep: libboost-program-options1.83.0 (>= 1.83.0)
- program options library for C++
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- dep: libboost-thread1.83.0 (>= 1.83.0)
- portable C++ multi-threading
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- dep: libc6.1 (>= 2.34)
- GNU C 语言运行库：共享库
同时作为一个虚包由这些包填实： libc6.1-udeb
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- dep: libgcc-s1 (>= 3.4)
- GCC 支持库
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- dep: libstdc++6 (>= 13.1)
- GNU 标准 C++ 库，第3版