IVSPlat 1.0: an integrated virtual screening platform with a molecular graphical interface |
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| Authors: | Yin Xue Sun Yan Xin Huang Feng Li Li Hong Yan Wang Cong Fan Yong Li Bao Lu Guo Sun Zhi Qiang Ma Jun Kong Yu Xin Li |
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| Institution: | (1) National Engineering Laboratory for Druggable Gene and Protein Screening, Northeast Normal University, Changchun, 130024, P.R. China;(2) School of Computer Science and Information Technology, Northeast Normal University, Changchun, 130117, P.R. China |
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| Abstract: | Background The virtual screening (VS) of lead compounds using molecular docking and pharmacophore detection is now an important tool
in drug discovery. VS tasks typically require a combination of several software tools and a molecular graphics system. Thus,
the integration of all the requisite tools in a single operating environment could reduce the complexity of running VS experiments.
However, only a few freely available integrated software platforms have been developed. |
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