Group Members
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PI:
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Computational
Chemistry and Biophysics
Assistant Professor, 2004-2009, Chemistry, Postdoctoral Fellow,
2001-2004, Physiology and Biophysics, Postdoctoral Fellow,
1997-2001, Chemistry, The Ph.D. 1997, Theoretical
Physics, The Born in Major funding: NSF Career Award. Supercomputing grants: PACI (TACC, PSC and Teragrid).
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Postdocs:
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Igor is working on classical and quantum mechanical calculations to understand charged and aromatic residue solvation in water and membranes and is exploring the roles of lipid components in ion channel function. |
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Graduate Students:
Borislava Bekker (Slava)
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Slava has been simulating studies of ion permeation through ion channels and has been working on obtaining the mechanisms of ionophore membrane permeability.
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Armando Jerome de Jesus (Arjay)
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Arjay has been studying how a transmembrane segment of a protein is affected by varying the mismatch between the membrane and segment lengths and calculating the driving free energies.
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Libo is carrying out free energy calculations to understand the stability of ionizable protein side chains in membranes, including pKa calculations to determing protonation states in membrane environments. He has also begun a project to describe how the conformational changes of Recoverin promote membrane association. |
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Ilsoo is studying ion selectivity and blocking of ion channels using free energy simulatiion methods. |
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Josh is studying membrane deformations around charged peptides using simulations and experiments with Atul Parikh (Applied Science). |
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Peiran is studying simulations of membrane-proteins and computational methods. |
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Jinju just joined the group. |
Visiting Students currently in the lab:
Thomas Chew (Young Scholars Program)
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Past members:
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Sudha worked on our first studies of the thermodynamics of amino acid and protein partitioning into membranes. She is now teaching in Portland Oregon. |
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Cluster:
194 Core Xeon rack and bladeserver linux cluster |
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