Search Results - "Lin, Yuchun"

Block-Localized Wavefunction (BLW) Method at the Density Functional Theory (DFT) Level by Mo, Yirong, Song, Lingchun, Lin, Yuchun

“…The block-localized wavefunction (BLW) approach is an ab initio valence bond (VB) method incorporating the efficiency of molecular orbital (MO) theory. It can…”
Get full text

Global Trends of Sea Surface Gravity Wave, Wind, and Coastal Wave Setup by Lin, Yuchun, Oey, Leo

“…Assessing trends of sea surface wave, wind, and coastal wave setup is of considerable scientific and practical importance in view of recent and projected…”
Get full text

Mitochondrial electron transport chain identified as a novel molecular target of SPIO nanoparticles mediated cancer-specific cytotoxicity by He, Chengyong, Jiang, Shengwei, Jin, Haijing, Chen, Shuzhen, Lin, Gan, Yao, Huan, Wang, Xiaoyong, Mi, Peng, Ji, Zhiliang, Lin, Yuchun, Lin, Zhongning, Liu, Gang

“…Abstract Superparamagnetic iron oxide nanoparticles (SPIONs) are highly cytotoxic and target cancer cells with high specificity; however, the mechanism by…”
Get full text

Simulating Landfast Ice in Lake Superior by Lin, Yuchun, Fujisaki-Manome, Ayumi, Anderson, Eric J.

“…Landfast ice plays an important role in the nearshore hydrodynamics of large lakes, such as the dampening of surface waves and currents. In this study,…”
Get full text

Importance of Internal Porosity for Glucan Adsorption in Mesoporous Carbon Materials by Chung, Po-Wen, Charmot, Alexandre, Click, Timothy, Lin, Yuchun, Bae, YounJue, Chu, Jhih-Wei, Katz, Alexander

“…To better understand the adsorption of long-chain poly(1 → 4)-β-d-glucans on carbon surfaces as well as interactions responsible for this adsorption, we use a…”
Get full text

Comparative coherence between layered and traditional semiconductors: unique opportunities for heterogeneous integration by Chen, Zhuofan, Deng, Xiaonan, Zhang, Simian, Wang, Yuqi, Wu, Yifei, Ke, Shengxian, Zhang, Junshang, Liu, Fucheng, Liu, Jianing, Liu, Yingjie, Lin, Yuchun, Hanna, Andrew, Li, Zhengcao, Wang, Chen

“…As Moore’s law deteriorates, the research and development of new materials system are crucial for transitioning into the post Moore era. Traditional…”
Get full text

Molecular Dynamics Simulations on the Escherichia coli Ammonia Channel Protein AmtB:  Mechanism of Ammonia/Ammonium Transport by Lin, Yuchun, Cao, Zexing, Mo, Yirong

“…Molecular dynamics (MD) simulations have been performed at the atomic level to study the ammonium/ammonia transport across the Escherichia coli AmtB membrane…”
Get full text

An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions by Lin, Yuchun, Baumketner, Andrij, Deng, Shaozhong, Xu, Zhenli, Jacobs, Donald, Cai, Wei

“…In this paper, a new solvation model is proposed for simulations of biomolecules in aqueous solutions that combines the strengths of explicit and implicit…”
Get more information

Ionic solvation studied by image-charge reaction field method by Lin, Yuchun, Baumketner, Andrij, Song, Wei, Deng, Shaozhong, Jacobs, Donald, Cai, Wei

“…In a preceding paper [J. Chem. Phys. 131, 154103 (2009)], we introduced a new, hybrid explicit/implicit method to treat electrostatic interactions in computer…”
Get more information

"Fluctuograms" reveal the intermittent intra-protein communication in subtilisin Carlsberg and correlate mechanical coupling with co-evolution by Silvestre-Ryan, Jordi, Lin, Yuchun, Chu, Jhih-Wei

“…The mechanism of intra-protein communication and allosteric coupling is key to understanding the structure-property relationship of protein function. For…”
Get full text

Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase by Zhang, Xin, Wu, Ruibo, Song, Lingchun, Lin, Yuchun, Lin, Menghai, Cao, Zexing, Wu, Wei, Mo, Yirong

“…Combined QM(PM3)/MM molecular dynamics simulations together with QM(DFT)/MM optimizations for key configurations have been performed to elucidate the enzymatic…”
Get full text

Endoglucanase Peripheral Loops Facilitate Complexation of Glucan Chains on Cellulose via Adaptive Coupling to the Emergent Substrate Structures by Lin, Yuchun, Beckham, Gregg T, Himmel, Michael E, Crowley, Michael F, Chu, Jhih-Wei

“…We examine how the catalytic domain of a glycoside hydrolase family 7 endoglucanase catalytic domain (Cel7B CD) facilitates complexation of cellulose chains…”
Get full text

Protein Allostery at the Solid–Liquid Interface: Endoglucanase Attachment to Cellulose Affects Glucan Clenching in the Binding Cleft by Lin, Yuchun, Silvestre-Ryan, Jordi, Himmel, Michael E, Crowley, Michael F, Beckham, Gregg T, Chu, Jhih-Wei

“…At phase boundaries, physical activities of enzymes such as substrate complexation play critical roles in driving biocatalysis. A prominent example is the…”
Get full text

Development of human cell models for assessing the carcinogenic potential of chemicals by Pang, Yaqin, Li, Wenxue, Ma, Rulin, Ji, Weidong, Wang, Qing, Li, Daochuan, Xiao, Yongmei, Wei, Qing, Lai, Yandong, Yang, Ping, Chen, Liping, Tang, Shifu, Lin, Yuchun, Zhuang, Zhixiong, Zheng, Yuxin, Chen, Wen

“…To develop human cell models for assessing the carcinogenic potential of chemicals, we established transgenic human cell lines and tested the sensitivity of…”
Get full text

Steric Strain versus Hyperconjugative Stabilization in Ethane Congeners by Song, Lingchun, Lin, Yuchun, Wu, Wei, Zhang, Qianer, Mo, Yirong

“…Rotation barriers in the group IVB ethane congeners H3X−YH3 (X, Y = C, Si, Ge, Sn, Pb) have been systematically studied and deciphered using the ab initio…”
Get full text

Measuring Anisotropic Diffusion in Kidney Using MRI by Wu, MingChen, BSc, Lin, YuChun, MSc, Shieh, CharngChyi, MSc, Wan, YungLiang, MD, Yen, Tzung-Hai, MD, Ng, KoonKwan, MD, Wai, YauYau, MD, Wang, JiunJie, PhD

“…Rationale and Objectives To measure the anisotropic diffusion in kidney and to demonstrate the feasibility of renal tractography. Materials and Methods…”
Get full text

An Integrated Diffusion Map for the Analysis of Diffusion Properties by Wai, YauYau, MD, Chu, JuHsu, BSc, Wang, ChunChieh, MD, PhD, Lin, YuChun, MSc, Lin, Gigin, MD, Wan, YungLiang, MD, Wang, JiunJie, PhD

“…Rationale and Objectives To develop an integrated diffusion map (iDM) for evaluation of diffusion properties, including the mean diffusivity and diffusion…”
Get full text

Effect of CFRP-wrapping on the mechanical and failure behavior of sandstone specimen containing a single flaw under compression by Zhou, Tao, Chen, Changpeng, Fang, Yonglin, Lin, Yuchun, Yin, Xuehan, Wang, Hongwei

“…In mining engineering, the stability of rock pillars is of great importance for the safety of mining operations. In this study, uniaxial compression tests were…”
Get full text

Drp1 and RB interaction to mediate mitochondria-dependent necroptosis induced by cadmium in hepatocytes by Zhang, Shili, Che, Lin, He, Chengyong, Huang, Jing, Guo, Nijun, Shi, Jiazhang, Lin, Yuchun, Lin, Zhongning

“…Mitochondrial quality control (MQC) is implicated in cell death induced by heavy metal pollutants. Dynamin-related protein 1 (Drp1) regulates mitochondrial…”
Get full text

Two ‘faces’ of ENSO-induced surface waves during the tropical cyclone season by Lin, Yuchun, Oey, Lie-Yauw, Orfila, Alejandro

“…•We relate summertime ocean waves in N Pacific to El Nino Southern Oscillation (ENSO).•Tropical cyclone wind power are related to ocean waves and ENSO.•Summer…”
Get full text