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机译:鉴定效率L,D-转肽酶5分枝杆菌抑制剂的抑制剂作为潜在的抗TB引线:虚拟筛选和分子动力学模拟
Univ KwaZulu Natal Sch Hlth Sci Catalysis &
Peptide Res Unit ZA-4001 Durban South Africa;
Univ KwaZulu Natal Sch Hlth Sci Catalysis &
Peptide Res Unit ZA-4001 Durban South Africa;
Univ KwaZulu Natal Sch Hlth Sci Catalysis &
Peptide Res Unit ZA-4001 Durban South Africa;
Univ KwaZulu Natal Sch Hlth Sci Catalysis &
Peptide Res Unit ZA-4001 Durban South Africa;
Univ KwaZulu Natal Sch Hlth Sci Catalysis &
Peptide Res Unit ZA-4001 Durban South Africa;
Univ KwaZulu Natal Sch Hlth Sci Catalysis &
Peptide Res Unit ZA-4001 Durban South Africa;
Johns Hopkins Univ Ctr TB Res Sch Med Div Infect Dis Baltimore MD 21205 USA;
Univ KwaZulu Natal Sch Hlth Sci Catalysis &
Peptide Res Unit ZA-4001 Durban South Africa;
Univ KwaZulu Natal Sch Hlth Sci Catalysis &
Peptide Res Unit ZA-4001 Durban South Africa;
Virtual screening; Molecular dynamics (MD); Mycobacterium tuberculosis (M.tb); L; D-transpeptidase 5 (Ldt(Mt5)); Molecular mechanics; generalized born surface area (MM-GBSA);
机译:鉴定效率L,D-转肽酶5分枝杆菌抑制剂的抑制剂作为潜在的抗TB引线:虚拟筛选和分子动力学模拟
机译:鉴定新型的回旋酶B抑制剂作为潜在的抗结核药物:同源性建模,混合虚拟筛选和分子动力学模拟
机译:基于结构的虚拟筛选,抗结核活性和分子动力学模拟,鉴定特异性结核分枝杆菌α亚甲酰亚基α-亚基α-亚基的鉴定
机译:鉴定潜在的VEGFR2抑制剂采用电子药物模型,虚拟筛选,分子动态模拟和ADME分析
机译:结核分枝杆菌ATP磷酸核糖基转移酶的结构研究及其新型抑制剂的虚拟筛选。
机译:用于识别CCR5拮抗剂作为潜在HIV-1进入抑制剂的集成计算工具:同源性建模虚拟筛选分子动力学模拟和3D QSAR分析
机译:基于结构的虚拟筛选,抗结核活动和分子动力学模拟从结核分枝杆菌中抗黄球合酶α-亚基α - 亚基β-亚基抑制剂的鉴定