Thiol Versus Hydroxamate as Zinc Binding Group In HDAC Inhibition: An Ab Initio QM/MM Molecular Dynamics Study

Por Gong, Wenjing, Wu, Ruibo, Zhang, Yingkai
Publicado no J Comput Chem (2015)

Zinc Chelation with Hydroxamate in Histone Deacetylases Modulated by Water Access to the Linker Binding Channel

Por Wu, Ruibo, Lu, Zhenyu, Cao, Zexing, Zhang, Yingkai
Publicado em 2011

A Transferable Non-bonded Pairwise Force Field to Model Zinc Interactions in Metalloproteins

Por Wu, Ruibo, Lu, Zhenyu, Cao, Zexing, Zhang, Yingkai
Publicado em 2011

A Structure-Similarity-Based Software for the Cardiovascular Toxicity Prediction of Traditional Chinese Medicine

Por Lu, Feng, Gu, Qiong, Wu, Ruibo, Xu, Jun
Publicado em 2012

Flexibility of Catalytic Zinc Coordination in Thermolysin and HDAC8: A Born-Oppenheimer ab initio QM/MM Molecular Dynamics Study

Por Wu, Ruibo, Hu, Po, Wang, Shenglong, Cao, Zexing, Zhang, Yingkai
Publicado em 2009

A Proton-Shuttle Reaction Mechanism for Histone Deacetylase 8 and the Catalytic Role of Metal Ions

Por Wu, Ruibo, Wang, Shenglong, Zhou, Nengjie, Cao, Zexing, Zhang, Yingkai
Publicado em 2010

Pine pollen inhibits cell apoptosis-related protein expression in the cerebral cortex of mice with arsenic poisoning★

Por Luo, Yanhong, Wei, Yaodong, Wang, Taizhong, Chen, Dongzhu, Lu, Tiansheng, Wu, Ruibo, Si, Keke
Publicado no Neural Regen Res (2012)

Computational Design of a Time-Dependent Histone Deacetylase 2 Selective Inhibitor

Por Zhou, Jingwei, Li, Min, Chen, Nanhao, Wang, Shenglong, Luo, Hai-Bin, Zhang, Yingkai, Wu, Ruibo
Publicado no ACS Chem Biol (2014)

Molecular Dynamics Simulations of the Detoxification of Paraoxon Catalyzed by Phosphotriesterase (PTE)

Por Zhang, Xin, Wu, Ruibo, Song, Lingchun, Lin, Yuchun, Lin, Menghai, Cao, Zexing, Wu, Wei, Mo, Yirong
Publicado em 2009