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Hamelberg Research Group Homepage

At Department of Chemistry. Adenira C., Hamelberg D.,. 2017) Redox-Specific Allosteric Modulation of the Conformational Dynamics of κB DNA by Pirin in the NF-κB Supramolecular Complex. Biochemistry. 56, 5002 5010. Momin M., Xin Y., Hamelberg D.,. 2017) Allosteric Fine-Tuning of the Binding Pocket Dynamics in the ITK SH2 Domain by a Distal Molecular Switch: An Atomistic Perspective. Journal of Physical Chemistry B. 121, 6131 6138. Momin M., Xin Y., Hamelberg D.,. 121, 6131 6138. 1, 837 842. 113, 4735 4740.

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At Department of Chemistry. Adenira C., Hamelberg D.,. 2017) Redox-Specific Allosteric Modulation of the Conformational Dynamics of κB DNA by Pirin in the NF-κB Supramolecular Complex. Biochemistry. 56, 5002 5010. Momin M., Xin Y., Hamelberg D.,. 2017) Allosteric Fine-Tuning of the Binding Pocket Dynamics in the ITK SH2 Domain by a Distal Molecular Switch: An Atomistic Perspective. Journal of Physical Chemistry B. 121, 6131 6138. Momin M., Xin Y., Hamelberg D.,. 121, 6131 6138. 1, 837 842. 113, 4735 4740.

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Hamelberg Research Group Homepage | hamelberg.gsu.edu Reviews

https://hamelberg.gsu.edu

At Department of Chemistry. Adenira C., Hamelberg D.,. 2017) Redox-Specific Allosteric Modulation of the Conformational Dynamics of κB DNA by Pirin in the NF-κB Supramolecular Complex. Biochemistry. 56, 5002 5010. Momin M., Xin Y., Hamelberg D.,. 2017) Allosteric Fine-Tuning of the Binding Pocket Dynamics in the ITK SH2 Domain by a Distal Molecular Switch: An Atomistic Perspective. Journal of Physical Chemistry B. 121, 6131 6138. Momin M., Xin Y., Hamelberg D.,. 121, 6131 6138. 1, 837 842. 113, 4735 4740.

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hamelberg.gsu.edu

1

Hamelberg Research Group Homepage

http://hamelberg.gsu.edu/index.html

At Department of Chemistry. Barman A., Smitherman C., Souffrant M., Gadda G., Hamelberg D.,. 2016) Conserved Hydration Sites in Pin1 Reveal a Distinctive Water Recognition Motif in Proteins. Journal of Chemical Information and Modeling. Ho K C., Hamelberg D.,. 2016) Oscillatory Diffusion and Second-Order Cyclostationarity in Alanine Tripeptide from Molecular Dynamics Simulation. Journal of Chemical Theory and Computation. 12, 372 382. Rodriguez-Bussey I. G., Doshi U., Hamelberg D.,. P O BOX 3965.

2

Hamelberg Research Group Members

http://hamelberg.gsu.edu/gallery.html

At Department of Chemistry. Molecular dynamics simulation of the SAM-II riboswitch complex. 2010) 38, 1392-1400. Hydrogen bonding network of surrounding water molecules forming a cage around peptide molecule. Journal of Chemical Theory and Computation. 2010) 6, 2591 2597. P O BOX 3965. Atlanta, GA 30302-3965. Dhamelberg at gsu dot edu. 2008 Hamelberg Research Group.

3

Hamelberg Research Publications

http://hamelberg.gsu.edu/publications.html

At Department of Chemistry. Barman A., Smitherman C., Souffrant M., Gadda G., Hamelberg D.,. 2016) Conserved Hydration Sites in Pin1 Reveal a Distinctive Water Recognition Motif in Proteins. Journal of Chemical Information and Modeling. Elvira Romero, Safieh Tork Ladani, Hamelberg D., Gadda G. 2016) Solvent-Slaved Motions in the Hydride Tunneling Reaction Catalyzed by Human Glycolate Oxidase. ACS Catalysis. Ho K C., Hamelberg D.,. 12, 372 382. Francesca Salvi, Isela Rodriguez, Hamelberg D., Gadda G.

4

Hamelberg Research Group Members

http://hamelberg.gsu.edu/groupmembers.html

At Department of Chemistry. Donald Hamelberg, Ph.D. Chemistry and Mathematics, Georgia State University. Arghya Barman, Ph.D. PhD Computational Chemistry, Univeristy of Miami. Urmi Doshi, Ph.D. PhD Biochemistry, University of Maryland. BS Chemistry, Georgia State University. BS Chemistry and Physics, Bowdoin College. BS Biology, Fort Valley State University. BS Chemistry, Georgia State University. BS Chemistry, Georgia State University. P O BOX 3965. Atlanta, GA 30302-3965. Dhamelberg at gsu dot edu.

5

Hamelberg Research Seminars

http://hamelberg.gsu.edu/seminars.html

At Department of Chemistry. Molecular Basis of Disease Program. 2011 Hamelberg Research Group.

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Amber | Gemini Computing Cluster

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March 7, 2015. March 8, 2015. Amber Molecular Dynamics Package. There are several versions of the Amber MD package available on Gemini. The older Amber 12 is still available, but in general should not be used. Amber 14, the current version is the preferred version. In addition to the standard Amber build (including AmberTools), there are versions of the main MD programs (sander and pmemd) that work under MPI, CUDA and CUDA MPI. Module load amber/amber14 ramddb. Sbatch -n 32 mpirun pmemd.MPI -O -i mdi...

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College of Arts and Sciences. BIOTECH and DRUG DESIGN. Notable accomplishments of our graduate students. Ms Sarah Laughlin has Successfully Defended her Thesis. November 16, 2011. Ms Laughlin has defended her Thesis entitled "Arylboronic acids that have strong fluorescence intensity changes upon sugar binding" under the direction of Professor Binghe Wang. Dr Nilmi Fernando has Successfully Defended her Dissertation. November 16, 2011. Dr Fernando is PhD number 135 from the Department of Chemistry! Has pu...

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hamelberg.gsu.edu

Hamelberg Research Group Homepage

At Department of Chemistry. Adenira C., Hamelberg D.,. 2017) Redox-Specific Allosteric Modulation of the Conformational Dynamics of κB DNA by Pirin in the NF-κB Supramolecular Complex. Biochemistry. 56, 5002 5010. Momin M., Xin Y., Hamelberg D.,. 2017) Allosteric Fine-Tuning of the Binding Pocket Dynamics in the ITK SH2 Domain by a Distal Molecular Switch: An Atomistic Perspective. Journal of Physical Chemistry B. 121, 6131 6138. Momin M., Xin Y., Hamelberg D.,. 121, 6131 6138. 1, 837 842. 113, 4735 4740.

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