tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules
نویسندگان
چکیده
منابع مشابه
tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules
Conformational flexibility of bioactive molecules poses a major challenge to computational biology. tCONCOORD generates structure ensembles based on geometrical considerations and has been successfully applied to predict protein conformational flexibility and essential degrees of freedom. We have now developed a graphical user interface (GUI) for tCONCOORD, which substantially facilitates the s...
متن کاملSoftware News and Updates tCONCOORD-GUI: Visually Supported Conformational Sampling of Bioactive Molecules
Conformational flexibility of bioactive molecules poses a major challenge to computational biology. tCONCOORD generates structure ensembles based on geometrical considerations and has been successfully applied to predict protein conformational flexibility and essential degrees of freedom. We have now developed a graphical user interface (GUI) for tCONCOORD, which substantially facilitates the s...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2009
ISSN: 0192-8651,1096-987X
DOI: 10.1002/jcc.21127