An Integrated Structure and System-Based Framework to Identify Protein-Small Molecule Interactions

Naveed, Hammad

Tags Statistical data analysisComputational modeling and simulations in biology, physiology and medicineStructural and comparative genomics

The promiscuity of small-molecules towards protein binding sites and vice versa hinders our understanding of the metabolism of healthy and...

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Assessing Effects of Nssnps: A Robust Geometric Approach to Identify and Characterize Protein Dynamic Surfaces

Tseng, Yan-Yuan

Tags Computational modeling and simulations in biology, physiology and medicineHigh throughput –omic (genomics, proteomics, metabolomics, lipidomics, and metagenomics) data analytics for precision healthComputational disease profiling

Recent studies suggest that protein conformations can be sampled with molecular dynamics simulations. In the course of protein dynamics,...

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Binding Surface Geometry and Evolution towards Precision Medicine

Tseng, Yan-Yuan ;   Liang, Jie

Tags Computational phenotypingBig Data analyticsPredictive analytics

Somatic nonsynonymous variants in proteins may affect protein functions, but it is difficult to identify those related to diseases and...

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