Identification of the hot spot residues for pyridine derivative inhibitor CCT251455 and ATP substrate binding on monopolar spindle 1 (MPS1) kinase by molecular dynamic simulation

Kai ChenCollaborative Innovation Center of Chemistry for Life Sciences, Institute of Immunology and the CAS Key Laboratory of Innate Immunity and Chronic Disease, School of Life Sciences, University of Sciences and Technology of China, Hefei, 230027, P. R. China

Wenxiu DuanCollaborative Innovation Center of Chemistry for Life Sciences, Institute of Immunology and the CAS Key Laboratory of Innate Immunity and Chronic Disease, School of Life Sciences, University of Sciences and Technology of China, Hefei, 230027, P. R. China

Qianqian HanCollaborative Innovation Center of Chemistry for Life Sciences, Institute of Immunology and the CAS Key Laboratory of Innate Immunity and Chronic Disease, School of Life Sciences, University of Sciences and Technology of China, Hefei, 230027, P. R. China

Xuan SunCollaborative Innovation Center of Chemistry for Life Sciences, Institute of Immunology and the CAS Key Laboratory of Innate Immunity and Chronic Disease, School of Life Sciences, University of Sciences and Technology of China, Hefei, 230027, P. R. China

Wenqian LiCollaborative Innovation Center of Chemistry for Life Sciences, Institute of Immunology and the CAS Key Laboratory of Innate Immunity and Chronic Disease, School of Life Sciences, University of Sciences and Technology of China, Hefei, 230027, P. R. China

Shuangyun HuCollaborative Innovation Center of Chemistry for Life Sciences, Institute of Immunology and the CAS Key Laboratory of Innate Immunity and Chronic Disease, School of Life Sciences, University of Sciences and Technology of China, Hefei, 230027, P. R. China

Jiajia WanCollaborative Innovation Center of Chemistry for Life Sciences, Institute of Immunology and the CAS Key Laboratory of Innate Immunity and Chronic Disease, School of Life Sciences, University of Sciences and Technology of China, Hefei, 230027, P. R. China

Jiang WuCollaborative Innovation Center of Chemistry for Life Sciences, Institute of Immunology and the CAS Key Laboratory of Innate Immunity and Chronic Disease, School of Life Sciences, University of Sciences and Technology of China, Hefei, 230027, P. R. China

Yushu GeCollaborative Innovation Center of Chemistry for Life Sciences, Institute of Immunology and the CAS Key Laboratory of Innate Immunity and Chronic Disease, School of Life Sciences, University of Sciences and Technology of China, Hefei, 230027, P. R. ChinaCorrespondence[email protected]

Dan LiuCollaborative Innovation Center of Chemistry for Life Sciences, Institute of Immunology and the CAS Key Laboratory of Innate Immunity and Chronic Disease, School of Life Sciences, University of Sciences and Technology of China, Hefei, 230027, P. R. ChinaCorrespondence[email protected]

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Identification of the hot spot residues for pyridine derivative inhibitor CCT251455 and ATP substrate binding on monopolar spindle 1 (MPS1) kinase by molecular dynamic simulation

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Identification of the hot spot residues for pyridine derivative inhibitor CCT251455 and ATP substrate binding on monopolar spindle 1 (MPS1) kinase by molecular dynamic simulation

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