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Physical Sciences and Mathematics Commons

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Full-Text Articles in Physical Sciences and Mathematics

Investigating Combinatorial Approaches In Virtual Screening On Human Inducible 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (Pfkfb3): A Case Study For Small Molecule Kinases, Robert B. Crochet, Michael C. Cavalier, Minsuh Seo, Jeong Do Kim, Young Sun Yim, Seung Jong Park, Yong Hwan Lee Nov 2011

Investigating Combinatorial Approaches In Virtual Screening On Human Inducible 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (Pfkfb3): A Case Study For Small Molecule Kinases, Robert B. Crochet, Michael C. Cavalier, Minsuh Seo, Jeong Do Kim, Young Sun Yim, Seung Jong Park, Yong Hwan Lee

Computer Science Faculty Research & Creative Works

Efforts toward improving the predictiveness in tier-based approaches to virtual screening (VS) have mainly focused on protein kinases. Despite their significance as drug targets, small molecule kinases have been rarely tested with these approaches. In this paper, we investigate the efficacy of a pharmacophore screening-combined structure-based docking approach on the human inducible 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase, an emerging target for cancer chemotherapy. Six out of a total 1364 compounds from NCI's Diversity Set II were selected as true actives via throughput screening. Using a database constructed from these compounds, five programs were tested for structure-based docking (SBD) performance, the MOE of which showed …


An Engineered Approach To Stem Cell Culture: Automating The Decision Process For Real-Time Adaptive Subculture Of Stem Cells, Dai Fei Elmer Ker, Lee E. Weiss, Silvina N. Junkers, Mei Chen, Zhaozheng Yin, Mike F. Sandbothe, Seungil Huh, Sungeun Eom, Ryoma Bise, Elvira Osuna-Highley, Takeo Kanade, Phil Gordon Campbell Nov 2011

An Engineered Approach To Stem Cell Culture: Automating The Decision Process For Real-Time Adaptive Subculture Of Stem Cells, Dai Fei Elmer Ker, Lee E. Weiss, Silvina N. Junkers, Mei Chen, Zhaozheng Yin, Mike F. Sandbothe, Seungil Huh, Sungeun Eom, Ryoma Bise, Elvira Osuna-Highley, Takeo Kanade, Phil Gordon Campbell

Computer Science Faculty Research & Creative Works

Current cell culture practices are dependent upon human operators and remain laborious and highly subjective, resulting in large variations and inconsistent outcomes, especially when using visual assessments of cell confluency to determine the appropriate time to subculture cells. Although efforts to automate cell culture with robotic systems are underway, the majority of such systems still require human intervention to determine when to subculture. Thus, it is necessary to accurately and objectively determine the appropriate time for cell passaging. Optimal stem cell culturing that maintains cell pluripotency while maximizing cell yields will be especially important for efficient, cost-effective stem cell-based therapies. …