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Actin cytoskeletal networks produced by a computational model of self-assembly, using cross-linking proteins that favor filament bundle and stress fiber formation

Multi-Scale Analysis of Cellular Force Transmission and Biochemical Activation

Contents

• Contact Information
• Funding Agency 
• Research Emphasis 
• Scales Examined 
• Biomedical, Biological &  Behavioral Areas
• Modeling Methods & Tools  
• Software Development 

Contact Information

Principal Investigator/Contact
Roger Kamm
Massachusetts Institute of Technology
Phone: (617) 253-5330
Fax: (617) 258-8506
Email: rdkamm@mit.edu

Co-PIs and Collaborators
Subra Suresh
Douglas Lauffenburger
Ju Li
Wonmuk Hwang
Mohammad Kaazempur-Mofradanjan

Grant Number - 1-R01-GM-076689-01

Funding Agency

National Institute of General Medical Sciences (NIH-NIGMS)

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Research Emphasis

Numerous cellular processes occur at the interface between mechanics and biology. Such responses can range from changes in cell morphology to changes in cell phenotype. Little is known of the basic mechanisms by which mechanical force is transduced into a biochemical signal, or how the cell changes its behavior or properties in response to external or internal stresses. The ultimate goal of this project is to capture such processes through quantitative modeling and simulation and use the results in developing new insights into the disease process and ultimately, new therapies.

Signal transduction is a basic process in molecular cell biology involving the conversion of a signal from outside the cell to a functional change within the cell.

The researchers propose to develop a computational framework that links mechanical forces to conformational changes in single proteins by coupling biochemical activity with molecular dynamics simulations of protein deformation in a fully three-dimensional filamentous network. The prototypical problem is the simulation of cytoskeletal rheology and remodeling.

Rheology is the science of deformation and flow of matter.
Cytoskeleton is a microscopic network of actin filaments and microtubules in the cytoplasm of many living cells that gives the cell shape and coherence.

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Scales Examined 

Time Scales

• Nanosecond and below(ns)
• Microsecond(μs)
• Millisecond(ms)
• Second(s)

Biological Scales

• Molecular
• Molecular Complexes
• Sub-Cellular
• Cellular

Length Scales 

• Nanometer (nm) and below
• Micrometer (μm)

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Biomedical, Biological and Behavioral (BBB) Areas and Percent Focus

Protein conformational change under force, Cytoskeletal mechanics, Actin dynamics, Mechanotransduction, and Cell Migration.

Modeling Methods and Tools (MMT)Areas and Percent Focus

Molecular dynamics, Brownian dynamics, Finite element methods, and Coupling methods.  

Software Development