Search Results - "Fan, Shujie"

Energy coupling and stoichiometry of Zn2+/H+ antiport by the prokaryotic cation diffusion facilitator YiiP by Hussein, Adel, Fan, Shujie, Lopez-Redondo, Maria, Kenney, Ian, Zhang, Xihui, Beckstein, Oliver, Stokes, David L

“…YiiP from Shewanella oneidensis is a prokaryotic Zn 2+ /H + antiporter that serves as a model for the Cation Diffusion Facilitator (CDF) superfamily, members…”
Get full text

Prediction of octanol-water partition coefficients for the SAMPL6-logP molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields by Fan, Shujie, Iorga, Bogdan I., Beckstein, Oliver

“…All-atom molecular dynamics simulations with stratified alchemical free energy calculations were used to predict the octanol-water partition coefficient log P…”
Get full text

Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules by Fan, Shujie, Nedev, Hristo, Vijayan, Ranjit, Iorga, Bogdan I., Beckstein, Oliver

“…We predicted water-octanol partition coefficients for the molecules in the SAMPL7 challenge with explicit solvent classical molecular dynamics (MD)…”
Get full text

Terahertz non-destructive imaging of cracks and cracking in structures of cement-based materials by Fan, Shujie, Li, Tongchun, Zhou, Jun, Liu, Xiaoqing, Liu, Xiaoming, Qi, Huijun, Mu, Zhiyong

“…Cracks and crack propagation in cement-based materials are key factors leading to failure of structures, affecting safety in construction engineering. This…”
Get full text

Corrigendum: Proteasome inhibitor YSY01A abrogates constitutive STAT3 signaling via down-regulation of Gp130 and JAK2 in human A549 lung cancer cells by Huang, Wei, Yuan, Xia, Sun, Ting, Fan, Shujie, Wang, Jun, Zhou, Quan, Guo, Wei, Ran, Fuxiang, Ge, Zemei, Yang, Huayu, Li, Runtao, Cui, Jingrong

“…[This corrects the article DOI: 10.3389/fphar.2017.00476.]…”
Get full text

DTX-P7, a peptide-drug conjugate, is highly effective for non-small cell lung cancer by Jiang, Yao, Huang, Wei, Sun, Xiaojiao, Yang, Xiaozhou, Wu, Youming, Shi, Jiaojiao, Zheng, Ji, Fan, Shujie, Liu, Junya, Wang, Jun, Liang, Zhen, Yang, Nan, Liu, Zhenming, Liu, Yanyong

“…Despite tremendous success of molecular targeted therapy together with immunotherapy, only a small subset of patients can benefit from them. Chemotherapy…”
Get full text

Proteasome Inhibitor YSY01A Abrogates Constitutive STAT3 Signaling via Down-regulation of Gp130 and JAK2 in Human A549 Lung Cancer Cells by Huang, Wei, Yuan, Xia, Sun, Ting, Fan, Shujie, Wang, Jun, Zhou, Quan, Guo, Wei, Ran, Fuxiang, Ge, Zemei, Yang, Huayu, Li, Runtao, Cui, Jingrong

“…Proteasome inhibition interfering with many cell signaling pathways has been extensively explored as a therapeutic strategy for cancers. Proteasome inhibitor…”
Get full text

Prediction of octanol-water partition coefficients for the SAMPL6-$$\log P$$ molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields by Fan, Shujie, Iorga, Bogdan I., Beckstein, Oliver

“…All-atom molecular dynamics simulations with stratified alchemical free energy calculations were used to predict the octanol-water partition coefficient log P…”
Get full text

A plausible model for the outward-facing conformation of YiiP and its transport mechanism by Fan, Shujie, Stokes, David L., Beckstein, Oliver

Get full text

Elucidation of Zn2+ Binding in the Zn2+/H+ Antiporter YiiP by Fan, Shujie, Lopez-Redondo, Maria, Stokes, David L., Beckstein, Oliver

Get full text

Mechanism of Ph-Dependent Zn2+ Binding in the Zinc Transporter Protein YiiP by Fan, Shujie

“…Transition metal ions such as Zn2+, Mn2+, Co2+, and Fe2+ play crucial roles in organisms from all kingdoms of life. The homeostasis of these ions is mainly…”
Get full text

Thermodynamically consistent stochastic models for active transmembrane transport processes by Beckstein, Oliver, Kenney, Ian M., Awtrey, Nikolas, Fan, Shujie

Get full text

Zinc binding alters the conformational dynamics and drives the transport cycle of the cation diffusion facilitator YiiP by Lopez-Redondo, Maria, Fan, Shujie, Koide, Akiko, Koide, Shohei, Beckstein, Oliver, Stokes, David L

“…YiiP is a secondary transporter that couples Zn2+ transport to the proton motive force. Structural studies of YiiP from prokaryotes and Znt8 from humans have…”
Get full text

Energy coupling and stoichiometry of Zn2+/H+ antiport by the prokaryotic cation diffusion facilitator YiiP by Hussein, Adel, Fan, Shujie, Lopez-Redondo, Maria, Kenney, Ian, Zhang, Xihui, Beckstein, Oliver, Stokes, David L

“…YiiP from Shewanella oneidensis is a prokaryotic Zn 2+ /H + antiporter that serves as a model for the Cation Diffusion Facilitator (CDF) superfamily, members…”
Get full text

A variable parameters damage model for concrete by Qi, Huijun, Li, Tongchun, Liu, Xiaoqing, Zhao, Lanhao, Lin, Chaoning, Fan, Shujie

“…•A variable parameters constitutive model of concrete is proposed.•This model reflects progressive failure progress of concrete.•This model can more conducive…”
Get full text

A novel dynamic stability analysis method for jointed rock slopes based on block-interface interaction by Gao, Lin’gang, Li, Tongchun, Liu, Xiaoqing, Qi, Huijun, Fan, Shujie, Lin, Chaoning, Zhou, Minzhe

“…The dynamic stability evaluation of jointed rock slopes is a complex problem of solving nonlinear and uncertain systems. The interactive method of partitioned…”
Get full text

Inferring the transport stoichiometry of the proton/zinc transporter YiiP from microscale thermophoresis and simulations by Fan, Shujie, Hussein, Adel K., Kenney, Ian M., Stokes, David L., Beckstein, Oliver

Get full text

The role of zinc binding sites in the cation diffusion facilitator YiiP by Hussein, Adel K., Lopez-Redondo, Maria L., Fan, Shujie, Zhang, Xihui, Beckstein, Oliver, Stokes, David L.

Get full text

Optimizing the separation of xylose/xylan from eucalyptus woodchips in the autohydrolysis process by Ni, Jianping, Liang, Yinchun, Gong, Chen, Fan, Shujie, Yang, Bin, Zhang, Yu, Cheng, Chunzu, Su, Zhenhua, Chen, Xiaolu

“…Effective separation of various components in biomass is critical for biorefinery. Autohydrolysis is a commercialized unit operation to remove hemicelluloses,…”
Get full text

Molecular Mechanism of Alternating-access Transport in a Sodium/Proton Antiporter by Beckstein, Oliver, Kenney, Ian M., Zhang, Chenou, Naughton, Fiona, Sexton, Rick, Fan, Shujie, Dotson, David L.

Get full text