32 posts · 27,830 views

Sort by Latest Post, Most Popular

View by Condensed, Full

  • April 4, 2017
  • 12:49 AM

A clue towards understanding intrinsically disordered proteins

by ragothamanyennamalli in Getting to know Structural Bioinformatics

ntrinsically disordered proteins are thought to be fully functional, yet do not confirm to a single conformation, thereby identifying their structure via crystallography becomes problematic. Many intrinsically disordered proteins have been studied and analyzed using NMR methods, however the question as to why proteins are intrinsically disordered is still debatable.... Read more »

  • March 3, 2017
  • 11:05 PM

All-Atom Molecular Dynamics Simulations

by ragothamanyennamalli in Getting to know Structural Bioinformatics

With increasing computational power (aka GPU) that can be accessed these days, it is no wonder that performing all-atom molecular dynamics simulation for a longer time, with duplicates and/or triplicates, has become easier.... Read more »

  • February 2, 2016
  • 05:14 AM

Computational Tools from Biophysical Journal

by ragothamanyennamalli in Getting to know Structural Bioinformatics

Biophysical Journal has created a collection of papers that describe tools and software that can be routinely used in biological research. Editor Prof. Leslie Loew mentions that the full-text of articles in this collection will be freely available until February 25, 2016.... Read more »

Qi Y, Cheng X, Lee J, Vermaas JV, Pogorelov TV, Tajkhorshid E, Park S, Klauda JB, & Im W. (2015) CHARMM-GUI HMMM Builder for Membrane Simulations with the Highly Mobile Membrane-Mimetic Model. Biophysical journal, 109(10), 2012-22. PMID: 26588561  

McGibbon RT, Beauchamp KA, Harrigan MP, Klein C, Swails JM, Hernández CX, Schwantes CR, Wang LP, Lane TJ, & Pande VS. (2015) MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories. Biophysical journal, 109(8), 1528-32. PMID: 26488642  

Hertig S, Goddard TD, Johnson GT, & Ferrin TE. (2015) Multidomain Assembler (MDA) Generates Models of Large Multidomain Proteins. Biophysical journal, 108(9), 2097-102. PMID: 25954868  

de Vries SJ, Schindler CE, Chauvot de Beauchêne I, & Zacharias M. (2015) A web interface for easy flexible protein-protein docking with ATTRACT. Biophysical journal, 108(3), 462-5. PMID: 25650913  

  • January 28, 2016
  • 09:29 AM

Help me, neighbor!

by ragothamanyennamalli in Getting to know Structural Bioinformatics

We all have neighbors who help us in our hour of need. Some go out of the way as well. In enzymes too, it seems, that neighbors play a crucial role. Lafond et al in their recent publication in the Journal of Biological Chemistry report the invovlement of neighboring chains of the same enzyme, lichenase. Apart from the role of stabilizing the quarternary structure (a trimer), they are also invovled in the enzymatic activity.... Read more »

Lafond M, Sulzenbacher G, Freyd T, Henrissat B, Berrin JG, & Garron ML. (2016) the quaternary structure of a glycoside hydrolase dictates specificity towards beta-glucans. The Journal of biological chemistry. PMID: 26755730  

  • December 29, 2015
  • 05:02 AM

Mosquitoes like it hot!

by ragothamanyennamalli in Getting to know Structural Bioinformatics

We all know how pesky mosquitoes can be. Did you know that the ability of a mosquito to find a suitable host to feed is due to thermotaxis? This behavior, being attracted/repelled due to high/low temperature, is seen in other organisms as well such as Drosophila melanogaster and Caenorhabditis elegans. ... Read more »

  • December 10, 2015
  • 11:52 PM

Alternate conformations

by ragothamanyennamalli in Getting to know Structural Bioinformatics

In the 90s morphing of two unrelated images was popular and mostly it was used for entertainment purposes. For example: the famous video of Michael Jackson’s pop hit “Black or White”.... Read more »

Narunsky A, Nepomnyachiy S, Ashkenazy H, Kolodny R, & Ben-Tal N. (2015) ConTemplate Suggests Possible Alternative Conformations for a Query Protein of Known Structure. Structure (London, England : 1993), 23(11), 2162-70. PMID: 26455800  

  • November 27, 2015
  • 09:28 AM

Designer proteins helping biomedicine

by ragothamanyennamalli in Getting to know Structural Bioinformatics

Professor Meiering and her colleagues were able to incorporate both structure and function into the design process by using bioinformatics to leverage information from nature. They then analyzed what they made and measured how long it took for the folded, functional protein to unfold and breakdown... Read more »

Broom A, Ma SM, Xia K, Rafalia H, Trainor K, Colón W, Gosavi S, & Meiering EM. (2015) Designed protein reveals structural determinants of extreme kinetic stability. Proceedings of the National Academy of Sciences of the United States of America, 112(47), 14605-10. PMID: 26554002  

  • October 16, 2015
  • 06:28 AM

Mutations that identify Thermostability

by ragothamanyennamalli in Getting to know Structural Bioinformatics

In protein engineering studies, mutating a residue to increase thermostability without affecting the activity of the protein/enzyme is a major consideration for researchers. The laborious method is list the number of possible mutations and then finding out the stability and activity for each mutant, one after another.... Read more »

Mancusso R, Karpowich NK, Czyzewski BK, & Wang DN. (2011) Simple screening method for improving membrane protein thermostability. Methods (San Diego, Calif.), 55(4), 324-9. PMID: 21840396  

Sauer DB, Karpowich NK, Song JM, & Wang DN. (2015) Rapid Bioinformatic Identification of Thermostabilizing Mutations. Biophysical journal, 109(7), 1420-8. PMID: 26445442  

  • September 23, 2015
  • 07:39 AM

What about Lignin?

by ragothamanyennamalli in Getting to know Structural Bioinformatics

Biofuel prodcution involves removing Lignin from the biomass, in fact efficient removal so that Lignin and its by-products do not inhibit the enzymatic process that follows. But, what happens to the Lignin? ... Read more »

Bourzac, K. (2015) Inner Workings: Paving with plants. Proceedings of the National Academy of Sciences, 112(38), 11743-11744. DOI: 10.1073/pnas.1509010112  

  • March 16, 2014
  • 06:00 PM

Prions – From Dr. Jekyll to being Mr. Hyde

by ragothamanyennamalli in Getting to know Structural Bioinformatics

The Cellular Prion Protein (PrPc) like Dr. Jekyll converts into PrPSc , a fatal conformational form, like Mr. Hyde, and is responsible for a variety of neurodegenrative disorders. Unlike the use of a potion, this molecular Jekyll and Hyde undergoes conformational change in low pH environment, such as in endosomes. While, there has been many studies done in the past of how this conformational change happens, a recent paper has tried to list the structural and dynamic properties using Molecular D........ Read more »

Chen, W., van der Kamp, M., & Daggett, V. (2014) Structural and Dynamic Properties of the Human Prion Protein. Biophysical Journal, 106(5), 1152-1163. DOI: 10.1016/j.bpj.2013.12.053  

  • February 7, 2014
  • 12:01 AM

Something to Bragg about!

by ragothamanyennamalli in Getting to know Structural Bioinformatics

Yes, the extra “g” was intentional. You see, 2014 is the International Year of Crystallography declared by the United Nations. So, Crystallographers are “Bragg”ing about it! [You see what I did there? :) ]... Read more »

  • February 6, 2014
  • 01:45 PM

Why blogging about research matters more than evah!

by Ragothamanyennamalli in Getting to know Structural Bioinformatics

ResearchBlogging.orgTwo nature news articles make this post. The first one is titled “Scientists may be reading a peak in reading habits”. Read the full news here. With the widespread reading turning towards online rather than the good old library hunting, this is not a shocker. The average time spent on reading is half an hour per article. ... Read more »

  • January 19, 2014
  • 04:00 PM

P212121 – The most frequently seen space group in protein crystals

by ragothamanyennamalli in Getting to know Structural Bioinformatics

t is a fact that there is a non-uniformity with which different space groups occur in protein crystals. For example, the space group P212121 is the most frequent in protein crsytals and occurs almost one-third of the time!!!
Why is this so? This was the question asked by Wukovitz and Yeates in their paper titled “Why protein crystals favour some space-groups over others”... Read more »

Wukovitz SW, & Yeates TO. (1995) Why protein crystals favour some space-groups over others. Nature structural biology, 2(12), 1062-7. PMID: 8846217  

  • October 13, 2013
  • 04:50 PM

Fear factor

by ragothamanyennamalli in Getting to know Structural Bioinformatics

Halloween is right around the corner, and everyone likes to get spooky! I do fear a lot, in the halloween sense. A trip to "Horror forest" few years back ended with my vocal chords getting maximum exercise! :)
It was shown in "Little Albert" that phobias can be conditioned and by conditioning one could trigger the fear response to a stimuli that generally does not induce fear (for example, ringing a bell). While the "Little Albert" experiment is considered as contr........ Read more »

Riccio A, Li Y, Moon J, Kim KS, Smith KS, Rudolph U, Gapon S, Yao GL, Tsvetkov E, Rodig SJ.... (2009) Essential role for TRPC5 in amygdala function and fear-related behavior. Cell, 137(4), 761-72. PMID: 19450521  

Wemmie JA, Taugher RJ, & Kreple CJ. (2013) Acid-sensing ion channels in pain and disease. Nature reviews. Neuroscience, 14(7), 461-71. PMID: 23783197  

  • September 5, 2013
  • 02:35 PM

Where is the model?

by Ragothamanyennamalli in Getting to know Structural Bioinformatics

Wouldn’t it be a great idea to put all these homology modeled structures that were published (of course, in a peer-reviewed journal) in one place? For some researchers, homology models are usually considered with a pinch (sorry a bucket!) of salt. Still, why should I spend time on modeling the protein, if a model exists already?... Read more »

  • August 30, 2013
  • 05:55 PM

SI(c)K1 with jetlag

by Ragothamanyennamalli in Getting to know Structural Bioinformatics

There is a Native American or African belief that when one travels for long distance, the body moves physcially at a faster rate to the new geographic location, but the soul takes its own time to catch up. I am sure traveling to conferences at international venues, or a trip back home (journey from Americas to Asia) can cause severe jet-lag in most of us.

Well, I don’t know about souls, but I do know that being jet lag is the same as getting sick. It is ironic, that the protein responsi........ Read more »

Aarti Jagannath, Rachel Butler, Sofia I.H. Godinho, Yvonne Couch, Laurence A. Brown, Sridhar R. Vasudevan, Kevin C. Flanagan, Daniel Anthony, Grant C. Churchill, Matthew J.A. Wood.... (2013) The CRTC1-SIK1 Pathway Regulates Entrainment of the Circadian Clock. Cell, 154(5), 1100-1111. DOI: 10.1016/j.cell.2013.08.004  

  • June 7, 2013
  • 10:25 AM

Twist, Baby, Yeah Twist

by Ragothamanyennamalli in Getting to know Structural Bioinformatics

If you were born in the 1960′s and if you happen to do The Twist with your partner your heart would of course be racing! Thanks to G protein-coupled inwardly-rectifying potassium channels (GIRKs) your heart can beat back to normal levels. Ironically, the protein does a “twist” to slow down the heart. Go Figure!

GIRK is basically a potassium ion-transporter and found in cardiac cells. It regulates the membrane voltage after the GPCR activated G-beta and G-gamma bind to the tr........ Read more »

  • May 24, 2013
  • 02:50 PM

A mutation leads to phenomenal effect

by Ragothamanyennamalli in Getting to know Structural Bioinformatics

A point mutation in a gene leads to a phenomenal effect on the phenotype. It is a classic Biochemistry textbook case study, Sickle Cell Anemia. The mutant hemoglobin has a Valine instead of the Glutamic acid. The change is highly observable in the form of a debilitating condition. But, not all point mutations in the protein sequence are debilitating, and sometimes they give rise to something spectacular. One such example is the White Tiger, frequently mistaken as an albino. The recent publicatio........ Read more »

Xu, X., Dong, G., Hu, X., Miao, L., Zhang, X., Zhang, D., Yang, H., Zhang, T., Zou, Z., Zhang, T.... (2013) The Genetic Basis of White Tigers. Current Biology. DOI: 10.1016/j.cub.2013.04.054  

  • May 23, 2013
  • 07:15 PM

Molecular visualization tools - Survey and practical tips

by Ragothamanyennamalli in Getting to know Structural Bioinformatics

What would be like to teach a class or describe someone about a protein, without visualizing its structure? Boring is one word that pops in my mind. I vividly remember the professor drawing two blobs touching each other, to describe protein-protein interaction, while explaining it either on the blackboard or on the transparencies of a over-head projector. Those were the days! Tracing back nearly 60 years back, when John Kendrew showed everyone a coiled mess, it has fueled every scientist's ........ Read more »

Craig, P., Michel, L., & Bateman, R. (2013) A survey of educational uses of molecular visualization freeware. Biochemistry and Molecular Biology Education, 41(3), 193-205. DOI: 10.1002/bmb.20693  

  • May 9, 2013
  • 01:00 PM

Resist Thy Temptations

by Ragothamanyennamalli in Getting to know Structural Bioinformatics

This is not a regular research blogging post, but important enough that anyone following this blog should be aware of it. Most of you doing research, I assume being associated with an institute/university, would have an academic email id that does not end with .com. You are vulnerable, my friend. Yes, the subject is "open access publishing scam".... Read more »

join us!

Do you write about peer-reviewed research in your blog? Use ResearchBlogging.org to make it easy for your readers — and others from around the world — to find your serious posts about academic research.

If you don't have a blog, you can still use our site to learn about fascinating developments in cutting-edge research from around the world.

Register Now

Research Blogging is powered by SRI Technology.

To learn more, visit http://selfregulationinstitute.org/.