Molecular Modeling

Molecular Modeling

TR&D1:  Molecular modeling and simulations, with focus on identifying functional substates and interaction mechanisms for proteins and their complexes. Coupled…

Cell Modeling

Cell Modeling

TR&D2: Cell modeling, with an emphasis on developing tools to handle spatial and molecular complexity inherent to neuronal signal transmission.…

Image Processing & Analysis

Image Processing & Analysis

TR&D3: Image processing and analysis, with an emphasis on analysis of cell and tissue organization in support of modeling Example…

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Research Highlights

figure good 170Synaptic Facilitation Revealed

An investigation of several mechanisms of short-term facilitation at the frog neuromuscular junction concludes that the presence of a second class of calcium sensor proteins distinct from synaptotagmin can explain known properties of facilitation.  Read more


langmead2 200Sparse Graphical Models of Protein:Protein Interactions

DgSpi is a new method for learning and using graphical models that explicitly represent the amino acid basis for interaction specificity and extend earlier classification-oriented approaches to predict ΔG of binding.  Read more


Picture1 180Advancing Parallel Bio-simulations

A new non-Markovian analysis can eliminate bias in estimates of long-timescale behavior, such as the mean first-passage time for the dissociation of methane molecules in explicit solvent. Read more


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