From molecules to organs, formulas to models
Johns Hopkins University Program in Multi-Scale Computational Biology
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Research

Active Research Areas

  • Quantum mechanical calculations
  • Structural and statistical thermodynamics
  • Atomic level and coarse grained modeling of biomacromolecular structures, their dynamics and structural transformations
  • Macromolecular recognition and assembly
  • Molecular motors
  • Bioinformatics
  • Analysis of microarray data
  • Biological networks
  • Dynamics of gene regulation and signal transduction
  • Cell signaling and metabolic engineering
  • Structural bioinformatics

IMMBI Faculty at Johns Hopkins
Mario Amzel – crystallography, structural enzymology and thermodynamics, molecular dynamics and quantum mechanics

Dilip Asthagiri – hydration phenomena & statistical mechanics of aqueous systems; ab initio molecular dynamics approaches to chemistry in liquids; metal-protein and protein-protein interactions

Joel Bader – bioinformatics and computational biology

Doug Barrick – stability and folding of proteins, protein evolution, protein-protein interactions in signaling pathways

Greg Chirikjian – computational structural biology, computational mechanics of large proteins, conformational statistics of biomacromolecules, applied mathematics

David Draper – RNA stability and electrostatics, RNA-protein recognition

Karen Fleming – membrane protein folding, thermodynamics of protein-protein interactions in membranes, membrane protein modeling

Bertrand García-Moreno – experimental and computational protein electrostatics and energetics, structure-based energy calculations

Jeffrey Gray – biomolecular modeling, protein-protein docking, tailored protein-surface interactions

Pablo Iglesias – feedback control in biological signaling pathways; mathematical and biological modeling of eukaryotic chemotacis

Andre Levchenko – signal transduction and cell-cell communication

George Rose – theoretical approaches to protein and RNA folding, evolution

Ingo Ruczinski – bioinformatics; methodological research and software development; statistical issues related to the protein folding problem

Ben Schafer – computational solid mechanics, stability of structures and networks of structures (struts, plates, shells, etc.), experimental solid mechanics

David Shortle – protein folding and stability, NMR analysis of denatured proteins, prediction of protein structure from sequence

Sean Sun – dynamics of molecular motors, trajectory methods for computing free energies, statistical mechanics of liquids

Raimond Winslow – computational biology, biophysical models of channels, cells, and cell networks, high performance computing & scientific visualization, nonlinear systems

Tom Woolf – computational biophysics of membrane systems, membrane proteins, and protein:lipid interactions, development of new methods for relative free energy and conformational transitions, computational analysis of ligand binding

IMMBI Faculty at Affiliated Institutions

Jeremy Edwards – dynamic modeling, functional genomics, metabolic engineering (UNM)

Angel García – theoretical and computational aspects of biomolecular dynamics and energetics, protein folding (RPI)

Abraham Lenhoff – analysis, control and exploitation of molecular interactions involving proteins and colloidal particles (UDel)

Babatunde Ogunnaike – control and systems theory, systems biology, product engineering, process design and operations (UDel)

Michael Paulaitis – molecular thermodynamics of protein solutions, molecular theory and modeling of aqueous solutions, self-assembly at high pressures, molecular simulations (OSU)

Lawrence Pratt – development and application of computational methods for solution chemistry (LANL)