Search Results - "Kuang, Guanglin"

Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2 by Zou, Rongfeng, Zhou, Yang, Wang, Yong, Kuang, Guanglin, Ågren, Hans, Wu, Junchen, Tu, Yaoquan

“…Intrinsically disordered proteins (IDPs) exert their functions by binding to partner proteins via a complex process that includes coupled folding and binding…”
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Performance Evaluation of 2D Fingerprint and 3D Shape Similarity Methods in Virtual Screening by Hu, Guoping, Kuang, Guanglin, Xiao, Wen, Li, Weihua, Liu, Guixia, Tang, Yun

“…Virtual screening (VS) can be accomplished in either ligand- or structure-based methods. In recent times, an increasing number of 2D fingerprint and 3D shape…”
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Mechanistic Insight into the Binding Profile of DCVJ and α‑Synuclein Fibril Revealed by Multiscale Simulations by Kuang, Guanglin, Murugan, N. Arul, Ågren, Hans

“…Parkinson’s disease (PD) is a serious neurodegenerative disease and is characterized by abnormal α-synuclein (α-syn) accumulation in Lewy bodies (LB) and Lewy…”
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In silico studies of ASEM analogues targeting alpha 7-nAChR and experimental verification by Zhou, Yang, Guanglin, Kuang, Li, Junhao, Halldin, Christer, Nordberg, Agneta, Langstrom, Bengt, Tu, Yaoquan, Agren, Hans

“…The alpha 7 nicotinic acetylcholine receptor (alpha 7-nAChR) is implicated in a variety of neurodegenerative and neuropsychiatric disorders, such as…”
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Enhanced Sampling Simulations of Ligand Unbinding Kinetics Controlled by Protein Conformational Changes by Zhou, Yang, Zou, Rongfeng, Kuang, Guanglin, Långström, Bengt, Halldin, Christer, Ågren, Hans, Tu, Yaoquan

“…Understanding unbinding kinetics of protein–ligand systems is of great importance for the design of ligands with desired specificity and safety. In recent…”
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Structural and functional characterization of the microtubule interacting and trafficking domains of two oomycete chitin synthases by Brown, Christian, Szpryngiel, Scarlett, Kuang, Guanglin, Srivastava, Vaibhav, Ye, Weihua, McKee, Lauren S., Tu, Yaoquan, Mäler, Lena, Bulone, Vincent

“…Chitin synthases (Chs) are responsible for the synthesis of chitin, a key structural cell wall polysaccharide in many organisms. They are essential for growth…”
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Free Energy Profile for Penetration of Pittsburgh Compound‑B into the Amyloid β Fibril by Zou, Rongfeng, Kuang, Guanglin, Ågren, Hans, Nordberg, Agneta, Långström, Bengt, Tu, Yaoquan

“…The amyloid β (Aβ) fibril is a hallmark of Alzheimer’s disease (AD) and has therefore served as an important target for early diagnosis of AD. The Pittsburgh…”
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Discovery and structure–activity analysis of selective estrogen receptor modulators via similarity-based virtual screening by Shen, Jie, Jiang, Jing, Kuang, Guanglin, Tan, Chengfang, Liu, Guixia, Huang, Jin, Tang, Yun

“…A number of selective estrogen receptor modulators (SERMs) were discovered from the SPECS database via a simple protocol. Based on two reference SERMs we…”
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A High Affinity Red Fluorescence and Colorimetric Probe for Amyloid β Aggregates by Rajasekhar, K., Narayanaswamy, Nagarjun, Murugan, N. Arul, Kuang, Guanglin, Ågren, Hans, Govindaraju, T.

“…A major challenge in the Alzheimer’s disease (AD) is its timely diagnosis. Amyloid β (Aβ) aggregates have been proposed as the most viable biomarker for the…”
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Impact of tunneling parameters on disc cutter wear during rock breaking in transient conditions by Zou, Baoping, Chen, Yu, Bao, Yangjuan, Liu, Zhiping, Hu, Bo, Ma, Jingyuan, Kuang, Guanglin, Tang, Chunan, Sun, Honglei, Zaheer, Qasim, Long, Xu

“…The assessment of disc cutter wear in subway shield construction beneath operational airports is a critical endeavor for evaluating the structural integrity of…”
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Computational studies of the binding profile of phosphoinositide PtdIns (3,4,5) P3 with the pleckstrin homology domain of an oomycete cellulose synthase by Kuang, Guanglin, Bulone, Vincent, Tu, Yaoquan

“…Saprolegnia monoica is a model organism to investigate Saprolegnia parasitica , an important oomycete which causes considerable loss in aquaculture every year…”
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Insights into the synergistic mechanism of target resistance: A case study of N. lugens RDL-GABA receptors and fipronil by Li, Ting, Zhou, Cong, Zheng, Nan, Yang, Hongbin, Kuang, Guanglin, Shao, Xusheng, Li, Zhong, Cheng, Jiagao

“…It is known that a single mutation exerts moderate resistance to pesticide, while double mutations (DM) cause severe resistance problem through synergistic…”
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Computational studies of the binding profile of phosphoinositide PtdIns (3,4,5) P-3 with the pleckstrin homology domain of an oomycete cellulose synthase by Kuang, Guanglin, Bulone, Vincent, Tu, Yaoquan

“…Saprolegnia monoica is a model organism to investigate Saprolegnia parasitica, an important oomycete which causes considerable loss in aquaculture every year…”
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Investigation of the Binding Profiles of AZD2184 and Thioflavin T with Amyloid-β(1–42) Fibril by Molecular Docking and Molecular Dynamics Methods by Kuang, Guanglin, Murugan, N. Arul, Tu, Yaoquan, Nordberg, Agneta, Ågren, Hans

“…Detecting deposits of amyloid β fibrils in the brain is of paramount importance for an early diagnosis of Alzheimer’s disease. A number of PET tracers have…”
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Computational Insight into the Binding Profile of the Second-Generation PET Tracer PI2620 with Tau Fibrils by Kuang, Guanglin, Murugan, N. Arul, Zhou, Yang, Nordberg, Agneta, Ågren, Hans

“…Abnormal deposition of hyperphosphorylated tau as neurofibrillary tangles (NFTs) is an important pathological hallmark of Alzheimer’s disease (AD) and of other…”
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Insight into the adsorption profiles of the Saprolegnia monoica chitin synthase MIT domain on POPA and POPC membranes by molecular dynamics simulation studies by Kuang, Guanglin, Liang, Lijun, Brown, Christian, Wang, Qi, Bulone, Vincent, Tu, Yaoquan

“…The critical role of chitin synthases in oomycete hyphal tip growth has been established. A microtubule interacting and trafficking (MIT) domain was discovered…”
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A theoretical study on the molecular determinants of the affibody protein Z(Aβ3) bound to an amyloid β peptide by Wang, Xu, Sun, Xianqiang, Kuang, Guanglin, Ågren, Hans, Tu, Yaoquan

“…Amyloid beta (Aβ) peptides are small cleavage products of the amyloid precursor protein. Aggregates of Aβ peptides are thought to be linked with Alzheimer's…”
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Development of novel C-11- labeled ASEM analogs for detection of neuronal nicotinic acetylcholine receptors (alpha 7-nAChR) by Nag, S., Jia, Z., Datta, P., Azpiazu, P. M., Arakawa, R., Varnas, K., Lemoine, L., Guanglin, Kuang, Ågren, Hans, Langstram, B., Halldin, C.

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In silico studies of ASEM analogues targeting α7-nAChR and experimental verification by Zhou, Yang, Kuang, Guanglin, Li, Junhao, Halldin, Christer, Nordberg, Agneta, Långström, Bengt, Tu, Yaoquan, Ågren, Hans

“…The α7 nicotinic acetylcholine receptor (α7-nAChR) is implicated in a variety of neurodegenerative and neuropsychiatric disorders, such as Alzheimer's disease…”
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studies of ASEM analogues targeting α7-nAChR and experimental verification by Zhou, Yang, Kuang, Guanglin, Li, Junhao, Halldin, Christer, Nordberg, Agneta, Långström, Bengt, Tu, Yaoquan, Ågren, Hans

“…The α7 nicotinic acetylcholine receptor (α7-nAChR) is implicated in a variety of neurodegenerative and neuropsychiatric disorders, such as Alzheimer's disease…”
Get full text