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Wednesday, March 09, 2016


I am working on a number of docking projects. The exciting part is that I have a number of new students that are interested in working on the both the computational and wet lab validation of our predictions. We are refining the docking systems these will do NMR next week.

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Friday, October 09, 2015

Strasburg France 

With the extra time on the last day we took the Munich -> Paris express train to Strasburg. The city was spectacular, with amazing little narrow streets and unique postcard shops.

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Tuesday, October 06, 2015

University of Stuttgart, Germany 

I attended the “Simulating Soft and Active Matter with ESPResSo, ESPResSo++, and VOTCA” conference/workshop/developers meeting at the Institute for Computational Physics of the University of Stuttgart, Germany. Compiled supporting software libraries for both laptop and UH computation cluster. Those included: Boost, Cython, FFTW3, GSL, GROMAC, VOTCA, ESPRESSO, and ESPRESSO++. I also presented a poster developing: “Phosphorylation Mimicry in Espresso; Charge Gradients and Dynamics” at the conference.

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Thursday, January 15, 2015

49th US-Japan Conference on Cholera and Enteric Infections 

This week has been a greatly enriching and learning experience at the 49th US-Japan Conference on Cholera. This conference integrates both basic science and field work, bringing a broad range of communities together to impact world health. I was deeply inspired by the stories from the teams coming back from Africa. Their commitment to interdict during a cholera outbreak is unwavering despite the logistic and security challenges in the field. Also a significant number of developments in vaccines and how they can be cost effectively targeted to vulnerable populations was encouraging. Each evening after the conference we were able to continue the networking over great central Florida fare, such as these at the Harries Seafood in downtown Gainsville.

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Tuesday, May 27, 2014

Cholera vs Enterotoxin 

We are investigation the underlying mechanisms that cause Cholera to be significantly more deadly as compared to Enterotoxin despite the high level of commonality between the structures. A few amino acids variations in the A2 tail region leads to differential effects including the strength of domain-domain interactions and water access through a small gap in the A-domain to B-domain interface.

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Thursday, February 28, 2013

PTEN links to Marijuana Response 

It is amazing that a small peptide can interfere with PTEN protein interactions with the Serotonin receptor. We have been exploring the interactions of that peptide with PTEN. We published in the Journal of Neuroscience on changes in activity in cells and looked at docking possible confirmations that were derived from Replicate Exchange Molecular Dynamics Simulations.
J Neurosci. 2013 Jan 23;33(4):1615-30

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Monday, October 24, 2011

PH domains in ROCK

We are looking at interactions of ROCK's catalytic domain and ROCK's PH domain. Interesting to look at a range of PH domains from many proteins. Here is a structural alignment done in VMD.

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Saturday, April 23, 2011


I have set up and am getting some initial leads for the Hampton screening tray that I am using. I have also set up co-crystals with an inhibitor. I am using my digital camera and the microscope to capture images during crystal growth.

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Tuesday, February 22, 2011

More Protein

Well I pressed ahead and cultured 7 liters of my protein. We use a arabanose induced chaperone before we induce with IPTG to help folding. After harvesting I placed in a Ni resin, because we have a His tag. In all I finished around 5:30 am. I was able to get home, get a hour cat nap, shower, and get back for a meeting. ... What an all nighter. Though all researchers know this is par for the course.

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Thursday, February 17, 2011

Frontiers in Translational Medicine

I have been enjoying the keynote addresses today it what is the "Inaugural Scientific Symposium for The Methodist Hospital Research Institute". I learned important information about mechanisms is cancer from the first speaker, Michael Kastan. I was very interested in his results from the compound CP466722... It has provoked the need for more reading of his papers. Also, I was inspired by the stories from Stanley Prusiner. The scale at which his group is exploring drug effectors in prion and prion-like diseases was very impressive.

Checkout the full list of speakers:

Methodist Hospital Research Institute

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