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Identification and optimization of novel benzimidazole-based inhibitors for the periplasmic chaperone SurA, a crucial factor for full virulence and antibiotic resistance of Gram-negative bacteria

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Zenodo2026-07-09 更新2026-08-13 收录
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Maestro 2024v3, Orthorombic 13A3, OPLS4, TIP3P, 93k atoms, 5x200ns (more details will be available upon publication) 1652- EcSurA_1M5Y_2629749 tautomer A, 1653- EcSurA_1M5Y_2629749 tautomer B1654- EcSurA_1M5Y 1927430 tautomer A pose 11655- EcSurA_1M5Y 1927430 tautomer A pose 21656- EcSurA_1M5Y 1927430 tautomer B

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2026-07-09
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