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Jean-Francois Truchon et al.
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Steven L. Dixon et al.
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RA Friesner et al.
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TA Halgren et al.
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A Walburger et al.
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Crystal structure of the catalytic domain of the PknB serine/threonine kinase from Mycobacterium tuberculosis
M Ortiz-Lombardía et al.
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CM Sassetti et al.
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TA Young et al.
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C Steinbeck et al.
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M Huse et al.
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Madhusudan et al.
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K Niefind et al.
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Protocols for bridging the peptide to nonpeptide gap in topological similarity searches
RP Sheridan et al.
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