Center for Biophysical Modeling and Simulation

Gary S. Ayton
Assistant Research Professor

FORCE MATCHING LECTURE SERIES:

• Lecture 1 - Gary Ayton - 04/01/2009: The MS CG Methodology
• Lecture 2 - Vinod Krishna - 04/02/2009: Ergodicity is the basis of MD
• Lecture 3 - Luca Larini - 04/03/2009: FM and Liquid State Theory

Research Interests

• Bridging Time and Length-scales in Complex Biological Systems with Computer Simulation
• Continuum Dynamics of Biological Assemblies
• Multiscale Modeling of Biological Systems
• Extensive Experience in NEMD (Non-equilibrium Molecular Dynamics) Computer Simulation
  Algorithm Development and Implementation
• Non-equilibrium Statistical Mechanics, Fluid Dynamics, Hydrodynamics
• Heat Transfer and Entropy Production in Non-equilibrium System

Latest Publications

• G. S. Ayton, W. G. Noid, and G. A. Voth, “Systematic Coarse-graining of Biomolecular and Soft Matter Systems,”
  MRS Bulletin 32 (Nov.), 929-934; (2007). [PDF for personal use only].
• S. Paramore, G. S. Ayton, and G. A. Voth, “Transient Violations of the Second Law of Thermodynamics Examined
  Using Synthetic Atomic Force Microscopy and the Fluctuation Theorem,” J. Chem. Phys. 127, 105105(1-11) (2007).
  DOI:10.1063/1.2764487
  
• W. G. Noid, J.-W. Chu, G. S. Ayton, and G. A. Voth, “Multiscale Coarse-graining and Structural Correlations:
  Connections to Liquid State Theory,” J. Phys. Chem. B 111, 4116-4127 (2007). DOI: 10.1021/jp068549t
• G. S. Ayton, P. D. Blood, and G. A. Voth, “Membrane Remodeling from N-BAR Domain Interactions:
  Insights from Multiscale Simulation,” Biophys. J. 92, 3595-3602 (2007). DOI:10.1529/biophysj.106.101709
• G. S. Ayton, W. G. Noid, and G. A. Voth, “Multiscale Modeling of Biomolecular Systems: In Serial and in
  Parallel,” Curr. Opin. Struct. Biol. 17, 192-198 (2007). DOI:10.1016/j.sbi.2007.03.004
• J.-W. Chu, S. Izvekov, G. S. Ayton, and G. A. Voth, “Emerging Methods for Multiscale Simulation of Biomolecular
  Systems,” Mol. Phys. 105, 167-175 (2007). DOI: 10.1080/00268970701256696
• G. S. Ayton and G. A. Voth, “Multiscale Simulation of Transmembrane Proteins,” J. Struct. Biol. 157, 570-578 (2007).
  DOI:10.1016/j.jsb.2006.10.020
  
• S. Paramore, G. S. Ayton, and G. A. Voth, “Extending the Fluctuation Theorem to Describe Reaction Coordinates,”
  J. Chem. Phys. 126, 051102(1-4) (2007). DOI:10.1063/1.2463306
• D. T. Mirijanian, J.-W. Chu, G. S. Ayton, and G. A. Voth, “Atomistic and Coarse-grained Analysis of Double
  Spectrin Repeat Units: The Molecular Origins of Flexibility,” J. Mol. Biol. 365, 523-534 (2007).
  
  
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