Computational Investigations on Reaction Mechanisms of the Covalent Inhibitors Ponatinib and Analogs Targeting the Extracellular Signal-Regulated Kinases
Tian, Yafeng, Zhang, Mi, Heng, Panpan, Hou, Hua, Wang, Baoshan
Published in International journal of molecular sciences (01.10.2023)
Published in International journal of molecular sciences (01.10.2023)
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Journal Article
In silico Design of Novel HIV-1 NNRTIs Based on Combined Modeling Studies of Dihydrofuro[3,4-d]pyrimidines
Chen, Yanming, Tian, Yafeng, Gao, Ya, Wu, Fengshou, Luo, Xiaogang, Ju, Xiulian, Liu, Genyan
Published in Frontiers in chemistry (24.03.2020)
Published in Frontiers in chemistry (24.03.2020)
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Mechanistic and kinetic study of the oxidation of trifluoroacetonitrile by hydroxyl and oxygen
Zhang, Mi, Tian, Yafeng, Hou, Hua, Wang, Baoshan
Published in International journal of quantum chemistry (05.09.2023)
Published in International journal of quantum chemistry (05.09.2023)
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Journal Article
Pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation for identification of potential ERK inhibitors
Tian, Yafeng, Zhang, Mi, Heng, Panpan, Hou, Hua, Wang, Baoshan
Published in Journal of biomolecular structure & dynamics (03.03.2024)
Published in Journal of biomolecular structure & dynamics (03.03.2024)
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In silico studies of diarylpyridine derivatives as novel HIV-1 NNRTIs using docking-based 3D-QSAR, molecular dynamics, and pharmacophore modeling approaches
Wan, Youlan, Tian, Yafeng, Wang, Wenjie, Gu, Shuangxi, Ju, Xiulian, Liu, Genyan
Published in RSC advances (05.12.2018)
Published in RSC advances (05.12.2018)
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In silico study of 3-hydroxypyrimidine-2,4-diones as inhibitors of HIV RT-associated RNase H using molecular docking, molecular dynamics, 3D-QSAR, and pharmacophore models
Gao, Ya, Chen, Yanming, Tian, Yafeng, Zhao, Yilan, Wu, Fengshou, Luo, Xiaogang, Ju, Xiulian, Liu, Genyan
Published in New journal of chemistry (2019)
Published in New journal of chemistry (2019)
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Journal Article
study of 3-hydroxypyrimidine-2,4-diones as inhibitors of HIV RT-associated RNase H using molecular docking, molecular dynamics, 3D-QSAR, and pharmacophore models
Gao, Ya, Chen, Yanming, Tian, Yafeng, Zhao, Yilan, Wu, Fengshou, Luo, Xiaogang, Ju, Xiulian, Liu, Genyan
Published in New journal of chemistry (04.11.2019)
Published in New journal of chemistry (04.11.2019)
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Journal Article
Insights into the key structural features of N1-ary-benzimidazols as HIV-1 NNRTIs using molecular docking, molecular dynamics, 3D-QSAR, and pharmacophore modeling
Wang, Wenjie, Tian, Yafeng, Wan, Youlan, Gu, Shuangxi, Ju, Xiulian, Luo, Xiaogang, Liu, Genyan
Published in Structural chemistry (01.02.2019)
Published in Structural chemistry (01.02.2019)
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