Physical Chemistry Tea Session
When
Nov 12, 2009 3:00 pm (Thursday)
What
Location: GeoChem Bldg., Rm. 351 Calendar: All Public Events Contact: ginni@brown.edu - Ginni McGee Description: "Computational Studies of DNA Hydration Dynamics"
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Event details: Physical Chemistry Tea Session
Description
Location:
GeoChem Bldg., Rm. 351
Calendar:
All Public Events
Contact:
ginni@brown.edu - Ginni McGee
Description:
"Computational Studies of DNA Hydration Dynamics"
Steven A. Corcelli, University of Notre Dame
Water at biological interfaces has structural and dynamical properties that are substantially different from the bulk, and these differences have a profound influence in determining the structure, dynamics and function of proteins and DNA. Molecular dynamics simulations are used to connect directly to recent time-dependent fluorescence experiments of the Hoechst 33258 (H33258) and Coumarin 102 (C102) probe molecules both free in aqueous solution and bound to DNA. These two probes interrogate different sub-ensembles of water molecules at the DNA interface, because H33258 binds within the DNA minor-groove, whereas C102 is a base pair analogue. The goal of the simulations is to gain molecular-level insight into how the specific structural properties, interactions, and motions of water molecules affect processes at biological interfaces. The calculations provide a more comprehensive interpretation of time-dependent Stokes shift experiments by partitioning the measured solvation response into components from water, counterions and DNA.
GeoChem Bldg., Rm. 351
Calendar:
All Public Events
Contact:
ginni@brown.edu - Ginni McGee
Description:
"Computational Studies of DNA Hydration Dynamics"
Steven A. Corcelli, University of Notre Dame
Water at biological interfaces has structural and dynamical properties that are substantially different from the bulk, and these differences have a profound influence in determining the structure, dynamics and function of proteins and DNA. Molecular dynamics simulations are used to connect directly to recent time-dependent fluorescence experiments of the Hoechst 33258 (H33258) and Coumarin 102 (C102) probe molecules both free in aqueous solution and bound to DNA. These two probes interrogate different sub-ensembles of water molecules at the DNA interface, because H33258 binds within the DNA minor-groove, whereas C102 is a base pair analogue. The goal of the simulations is to gain molecular-level insight into how the specific structural properties, interactions, and motions of water molecules affect processes at biological interfaces. The calculations provide a more comprehensive interpretation of time-dependent Stokes shift experiments by partitioning the measured solvation response into components from water, counterions and DNA.
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Brown was the Baptist answer to Congregationalist Yale and Harvard, Presbyterian Princeton, and Episcopalian Penn and Columbia. At the time, it was the only one that welcomed students of all religious persuasions (following the example of Roger Williams, who founded Rhode Island in 1636 on the same principle). Brown has long since shed its Baptist affiliation, but remains dedicated to diversity and intellectual freedom.Post a Countdown Widget
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