Search Results - "Zheng, Weifan"

Cheminformatics Modeling of Gene Silencing for Both Natural and Chemically Modified siRNAs by Dong, Xialan, Zheng, Weifan

“…In designing effective siRNAs for a specific mRNA target, it is critically important to have predictive models for the potency of siRNAs. None of the published…”
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Emerging technologies for drug repurposing: Harnessing the potential of text and graph embedding approaches by Dong, Xialan, Zheng, Weifan

“…Drug repurposing is an approach to identifying new uses for existing drugs, where advanced computational methods, such as text and graph embedding techniques,…”
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TNFAIP8 regulates autophagy, cell steatosis, and promotes hepatocellular carcinoma cell proliferation by Niture, Suryakant, Gyamfi, Maxwell A., Lin, Minghui, Chimeh, Uchechukwu, Dong, Xialan, Zheng, Weifan, Moore, John, Kumar, Deepak

“…Tumor necrosis factor-α-induced protein 8 (TNFAIP8) expression has been linked to tumor progression in various cancer types, but the detailed mechanisms of…”
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Lead/Drug Discovery from Natural Resources by Xu, Zhihong, Eichler, Barrett, Klausner, Eytan A, Duffy-Matzner, Jetty, Zheng, Weifan

“…Natural products and their derivatives have been shown to be effective drug candidates against various diseases for many years. Over a long period of time,…”
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Applying a Gene Reversal Rate Computational Methodology to Identify Drugs for a Rare Cancer: Inflammatory Breast Cancer by Ji, Xiaojia, Williams, Kevin P, Zheng, Weifan

“…The aim of this study was to utilize a computational methodology based on Gene Reversal Rate (GRR) scoring to repurpose existing drugs for a rare and…”
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Identification of Novel GANT61 Analogs with Activity in Hedgehog Functional Assays and GLI1-Dependent Cancer Cells by Abu Rabe, Dina, Chdid, Lhoucine, Lamson, David R, Laudeman, Christopher P, Tarpley, Michael, Elsayed, Naglaa, Smith, Ginger R, Zheng, Weifan, Dixon, Maria S, Williams, Kevin P

“…Aberrant activation of hedgehog (Hh) signaling has been implicated in various cancers. Current FDA-approved inhibitors target the seven-transmembrane receptor…”
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Scoring protein interaction decoys using exposed residues (SPIDER): A novel multibody interaction scoring function based on frequent geometric patterns of interfacial residues by Khashan, Raed, Zheng, Weifan, Tropsha, Alexander

“…Accurate prediction of the structure of protein–protein complexes in computational docking experiments remains a formidable challenge. It has been recognized…”
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Literature-Wide Association Studies (LWAS) for a Rare Disease: Drug Repurposing for Inflammatory Breast Cancer by Ji, Xiaojia, Jin, Chunming, Dong, Xialan, Dixon, Maria S, Williams, Kevin P, Zheng, Weifan

“…Drug repurposing is an effective means for rapid drug discovery. The aim of this study was to develop and validate a computational methodology based on…”
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Oncogenic Role of Tumor Necrosis Factor α-Induced Protein 8 (TNFAIP8) by Niture, Suryakant, Dong, Xialan, Arthur, Elena, Chimeh, Uchechukwu, Niture, Samiksha S, Zheng, Weifan, Kumar, Deepak

“…Tumor necrosis factor (TNF)-α-induced protein 8 (TNFAIP8) is a founding member of the TIPE family, which also includes TNFAIP8-like 1 (TIPE1), TNFAIP8-like 2…”
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Improved Driveway Design for Superblocks to Reduce the Crash Risk by Zhuo, Xi, Prevedouros, Panos D., Zhang, Yongqiang, Lu, Changtai, Xiao, Yuxin, Zheng, Weifan

“…The superblock has become a typical land use in China and many growing Asian cities. Superblock access points generate traffic congestion and many conflicts…”
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Impulsive Disturbances on the Dynamical Behavior of Complex-Valued Cohen-Grossberg Neural Networks with Both Time-Varying Delays and Continuously Distributed Delays by Chen, Zilong, Xu, Quan, Zhang, Jiye, Xu, Xiaohui, Zheng, Weifan

“…This paper studies the global exponential stability for a class of impulsive disturbance complex-valued Cohen-Grossberg neural networks with both time-varying…”
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Novel Approach to Structure-Based Pharmacophore Search Using Computational Geometry and Shape Matching Techniques by Ebalunode, Jerry Osagie, Ouyang, Zheng, Liang, Jie, Zheng, Weifan

“…Computationally efficient structure-based virtual screening methods have recently been reported that seek to find effective means to utilize experimental…”
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RapidMic: Rapid Computation of the Maximal Information Coefficient by Tang, Dongming, Wang, Mingwen, Zheng, Weifan, Wang, Hongjun

“…To discover relationships and associations rapidly in large-scale datasets, we propose a cross-platform tool for the rapid computation of the maximal…”
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Molecular shape technologies in drug discovery: methods and applications by Ebalunode, Jerry O, Zheng, Weifan

“…Shape complementarity is a critically important factor in molecular recognition among drugs and their biological receptors. The notion that molecules with…”
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A Novel Structure-Based Multimode QSAR Method Affords Predictive Models for Phosphodiesterase Inhibitors by Dong, Xialan, Ebalunode, Jerry O, Cho, Sung Jin, Zheng, Weifan

“…Quantitative structure−activity relationship (QSAR) methods aim to build quantitatively predictive models for the discovery of new molecules. It has been…”
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Structure-based shape pharmacophore modeling for the discovery of novel anesthetic compounds by Ebalunode, Jerry O., Dong, Xialan, Ouyang, Zheng, Liang, Jie, Eckenhoff, Roderic G., Zheng, Weifan

“…Strategies to create apoferritin shape pharmacophore models. Current anesthetics, especially the inhaled ones, have troublesome side effects and may be…”
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Identification of the descriptor pharmacophores using variable selection QSAR: applications to database mining by Tropsha, A, Zheng, W

“…The pharmacophore concept is central to the rational drug design and discovery process. Traditionally, a pharmacophore is defined as a specific…”
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Quantitative Structure−Activity Relationship Modeling of Dopamine D1 Antagonists Using Comparative Molecular Field Analysis, Genetic Algorithms−Partial Least-Squares, and K Nearest Neighbor Methods by Hoffman, Brian, Cho, Sung Jin, Zheng, Weifan, Wyrick, Steven, Nichols, David E, Mailman, Richard B, Tropsha, Alexander

“…Several quantitative structure−activity relationship (QSAR) methods were applied to 29 chemically diverse D1 dopamine antagonists. In addition to conventional…”
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Receptor-based pharmacophore and pharmacophore key descriptors for virtual screening and QSAR modeling by Dong, Xialan, Ebalunode, Jerry O, Yang, Sheng-Yong, Zheng, Weifan

“…The intuitive nature of the pharmacophore concept has made it widely accepted by the medicinal chemistry community, evidenced by the past 3 decades of…”
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Data Mining Meets Machine Learning: A Novel ANN‐based Multi‐body Interaction Docking Scoring Function (MBI‐score) Based on Utilizing Frequent Geometric and Chemical Patterns of Interfacial Atoms in Native Protein‐ligand Complexes by Khashan, Raed, Tropsha, Alexander, Zheng, Weifan

“…Accurate prediction of binding poses is crucial to structure‐based drug design. We employ two powerful artificial intelligence (AI) approaches, data‐mining and…”
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