Phanourios Tamamis Lab

Department of Chemical Engineering

Texas A&M University

Home and Short Bio


Lab Members


Patents and Publications



Our Approach and Our Goals

Computational methods, including molecular dynamics (MD) simulations and free energy calculations, are increasingly becoming powerful tools in the fields of protein structure prediction and de novo protein design. Despite the continuous advancement of experimental methods, computational tools have proved to be of utmost importance to fill crucial “gaps”, obtain information that is not accessible from experiments, and lead to the discovery of novel biomaterials and therapeutics.


Through the development of novel multidisciplinary computational strategies, combining biophysical-chemistry and engineering principles, our research aims at:


• Designing novel biomaterials with advanced applications, and understanding peptide/protein self-assembly at the atomic and molecular level;

• Elucidating how compounds or proteins can serve as inhibitors or disassemblers of peptide/protein amyloid self-assembly associated with amyloid diseases including diabetes, Alzheimer’s and Parkinson’s and designing novel compounds or proteins that can serve as therapeutics for amyloid diseases;

• Understanding biomolecular interactions between small chemical compounds, proteins and RNAs involved in key biological systems such as bacteria proteins and shedding light into key biological axes.


Phanourios Tamamis



Assistant Professor


Artie McFerrin Department of Chemical Engineering


Texas A&M University


330, Giesecke Engineering Research Building


225, Jack E. Brown Chemical Engineering Building


3122 TAMU, College Station, TX 77843

Phone: 979-862-1610

Fax: 979-845-6446


Phanourios Tamamis - Short Bio

Phanourios Tamamis received his B.S. degree in 2006 (excellent; top academic performance) and Ph.D. degree in 2010 from the Physics Department of the University of Cyprus, and was recognized as the top Cypriot undergraduate researcher in 2006. During his undergraduate, graduate and early-postdoctoral studies, he was supervised by Professor Georgios Archontis, a notable student of Martin Karplus (Nobel Prize in Chemistry, 2013). After finishing his Ph.D. studies, from 2010 until 2012, Phanourios Tamamis served as a Postdoctoral Fellow at the University of Cyprus and as a Fulbright Scholar at the University of California at Riverside and Princeton University, under the co-supervision of Professors Dimitrios Morikis and Christodoulos A. Floudas. He was recognized as an “Outstanding Young Researcher” in the 2012 Computational Biophysics to Systems Biology conference. In 2013, he joined the lab of Professor Christodoulos A. Floudas at the Chemical and Biological Engineering Department of Princeton University as a Postdoctoral Research Associate. In 2015, he joined the Chemical Engineering Department of Texas A&M University as an Assistant Professor.



Asuka Orr and Mark Wilson from Tamamis lab, in collaboration with Lydia A. Contreras lab, published a paper on the first high-throughput and rapid computational method for screening of RNA post-transcriptional modifications that can be recognized by target proteins.  

Highlights of the paper:

• We developed a computational protocol to study modified RNA-protein interactions.

• The protocol investigates RNA-protein complexes in a high-throughput fashion.

 • We validated this protocol using the RNA binding protein E. coli PNPase.

• We observed Reasonably high agreement between computational and experimental results.


Asuka Orr from Tamamis lab, in collaboration with Arul Jayaraman, published a paper on molecular modeling of chemoreceptor:ligand Interactions.  

In this paper, we provide step-by-step instructions on how to computationally investigate the binding of small-molecule ligands to protein receptors by examining as control and test cases, respectively, the binding of l-serine and R-3,4-dihydroxymandelic acid (R-DHMA) to the Escherichia coli chemoreceptor Tsr. Similar computational strategies can be used for the molecular modeling of a series of ligand:protein receptor interactions.


• Tamamis lab receives funding from the National Institute on Aging (NIH) to design novel β-wrapins as potential therapeutics for Alzheimer’s, Parkinson’s and diabetes type 2 diseases.


Key Stories from 2017


• Graduate students Vamshi Jonnalagadda and Asuka Orr gave three presentations at the AIChE meeting in Minneapolis.




A new Ph.D. student, Joseph Jakubowski, joined Tamamis lab.


Tamamis lab received a Seed Grant for Water Research from the Texas A&M Engineering Experiment Station.


Lab Members






Sai Vamshi Jonnalagadda

3rd year Ph.D. student

Asuka Orr

2nd year Ph.D. student

Joseph Jakubowski

1st year Ph.D. student









Mark Wilson

2nd year Master’s Student






Danielle Scott

2nd Year Undergrad.

Alexis Coley 

3rd Year Undergrad.

 Leevin Mao

3rd Year Undergrad.

 Kendal Henderson

3rd Year Undergrad.













Our Current Research Directions

Engineering novel peptide self-assembled bio-nanomaterials with promising applications in biomedicine, energy and environment

Computational methods possess the capacity to provide atomic-level insights into the β-sheet structural organization of amyloid-forming self-assembled peptides, and peptide-based nanostructures. Our research aims at exploiting the self-assembly properties of β-sheet or α-helical peptides/proteins to engineer novel peptide self-assembled biological nanomaterials with promising applications in biomedicine, energy and environment.


Designing inhibitors of amyloid formation as potential therapeutics of amyloid diseases

Amyloid deposition in human tissue is associated with a number of diseases including all common dementias and diabetes. A critical initial step to prevent amyloid fibril formation is to delineate the self-assembly properties and provide insights into the structure of amyloid fibrils of the associated peptide or protein in each disease. Our research aims at (i) elucidating the amyloid structures formed by amyloidogenic peptides and proteins, and (ii) designing protein and non-proteins-based inhibitors or disassemblers of amyloid formation, as potential therapeutics for amyloid diseases, including Alzheimer’s, Parkinson’s and diabetes diseases. 


Elucidating the biomolecular complex structures of small-molecule ligand : protein and RNA : proteins complexes, shedding light into key biological axes and discovering novel potential therapeutics.

Understanding the binding of small ligands to proteins or RNAs to proteins is of significant importance, as such interactions play a key role in living organisms’ biological processes. Our research aims to develop novel computational protocols investigating the molecular recognition of proteins (e.g., in bacteria proteins) by small-molecule ligands or RNAs. We emphasize on developing novel computational tools to elucidate the structures and interactions formed between small-molecule ligands and proteins or between chemically modified RNAs and proteins. 




Compstatin analogs, US Patent 9,512,180, 2016.



Peer-Reviewed Papers and Book Chapters

Publications from Tamamis lab

Orr AA, Shaykhalishahi H, Mirecka EA, Jonnalagadda SVR, Hoyer W, Tamamis P. Elucidating the Multi-Targeted Anti-Amyloid Activity and Enhanced Islet Amyloid Polypeptide Binding of β-wrapins. Computers & Chemical Engineering. 2018. Accepted.

Orr AA, Jayaraman A, Tamamis P. Molecular Modeling of Chemoreceptor: Ligand Interactions. Methods Mol Biol. 2018, 1729:353-372.

Orr AA, Gonzalez-Rivera JC, Wilson M, Bhikha PR, Wang D, Contreras LM, Tamamis P. A high-throughput and rapid computational method for screening of RNA post-transcriptional modifications that can be recognized by target proteins. Methods 2018,

Jonnalagadda SVR, Ornithopoulou E, Orr AA, Mossou E, Forsyth E, Mitchell EP, Bowler MW, Mitraki A Tamamis P. Computational Design of Amyloid Self-Assembling Peptides Bearing Aromatic Residues and the Cell Adhesive Motif Arg-Gly-Asp. Mol. Syst. Des. Eng. 2017, Mol. Syst. Des. Eng., 2017. 2:321-335.

Deidda G, Spies JW, Ranella A, Mossou E, Forsyth VT, Mitchell EP, Bowler MW, Tamamis P, Mitraki A.  Self-assembled amyloid peptides with Arg-Gly-Asp (RGD) motifs as scaffolds for tissue engineering. ACS Biomater. Sci. Eng., 2017, 3 (7): 1404–1416.

Khoury GA, Smadbeck J, Kieslich CA, Koskosidis AJ, Guzman YA, Tamamis P, Floudas CA. Princeton_TIGRESS 2.0: High refinement consistency and net gains through support vector machines and molecular dynamics in double-blind predictions during the CASP11 experiment. Proteins. 2017, 85(6):1078-1098.

Orr AA, Wördehoff MM, Hoyer W, Tamamis P. Uncovering the Binding and Specificity of β-Wrapins for Amyloid-β and α-Synuclein. J. Phys. Chem. B 2016, 120 (50): 12781–12794.

Cheng Y, Jin UH, Davidson LA, Chapkin RS, Jayaraman A, Tamamis P, Orr A, Allred C, Denison MS, Soshilov A, Weaver E, Safe S. Microbial-Derived 1,4-Dihydroxy-2-naphthoic Acid and Related Compounds as Aryl Hydrocarbon Receptor Agonists/Antagonists: Structure-Activity Relationships and Receptor Modeling. Toxicological Sciences 2016, 155 (2): 458-473.

Kieslich CA, Tamamis P, Guzman YA, Onel M, Floudas CA. Highly Accurate Structure-Based Prediction of HIV-1 Coreceptor Usage Suggests Intermolecular Interactions Driving Tropism. PLoS One. 2016, 11(2): e0148974. 


Publications of Phanourios Tamamis from 2006-2015

Gorham RD Jr, Forest, DL, Khoury, GA, Beecher CN, Tamamis P, Archontis, G, Larive, CK, Floudas, C A, Radeke, M J, Johnson,  LV, Morikis, D New compstatin peptides containing N-terminal extensions and non-natural amino acids exhibit potent complement inhibition and improved solubility characteristics. Journal of Medicinal Chemistry 2015, 58(2): 814-826.


Tamamis P, Floudas, CA. Elucidating a Key Anti-HIV-1 and Cancer-Associated Axis: The Structure of CCL5 (Rantes) in Complex with CCR5Scientific Reports 2014, 4: 5447.


Tamamis P, Floudas, CA. Elucidating a Key Component of Cancer Metastasis: CXCL12 (SDF-1α) Binding to CXCR4Journal of Chemical Information and Modeling 2014, 54 (4): 1174-1188.


Tamamis P, Floudas, CA. Molecular Recognition of CCR5 by an HIV-1 gp120 V3 LoopPLoS ONE 2014, 9 (4): e95767.


Tamamis P, Terzaki, K, Kassinopoulos M, Mastrogiannis L,  Mossou E,  Forsyth VT, Mitchell EP,  Mitraki A,  Archontis G. Self-Assembly of an Aspartate-Rich Sequence from the Adenovirus Fibre Shaft: Insights from Molecular Dynamics Simulations and Experiments. Journal of Physical Chemistry B 2014, 118 (7): 1765-1774.


Khoury GA, Smadbeck J, Tamamis, P, Vandris AC, Kieslich CA, Floudas CA Forcefield_NCAA: Ab Initio Charge Parameters to Aid in the Discovery and Design of Therapeutic Proteins and Peptides with Unnatural Amino Acids and Their Application to Complement Inhibitors of the Compstatin Family. ACS Synthetic Biology, 2014, 3(12): 855–869.


Khoury GA, Tamamis P, Pinnaduwage N,  Smadbeck J, Kieslich CA, Floudas CA. Princeton_TIGRESS: Protein geometry refinement using simulations and support vector machines. Proteins: Structure, Function, and Bioinformatics 2014, 82 (5): 794-814.


Tamamis P, Kasotakis, E,  Archontis, G, Mitraki, A. Combination of Theoretical and Experimental Approaches for the Design and Study of Fibril-forming Peptides. In Protein Design: Methods and Applications. Methods Mol. Biol. 2014, 1216: 53-70.


Tamamis P, Kieslich, CA, Nikiforovich, GV, Woodruff, TM, Morikis, D, Archontis, G. Insights into the Mechanism of C5aR Inhibition by PMX53 via Implicit Solvent Molecular Dynamics Simulations and Docking. BMC Biophysics 2014, 7: 5. 


Gorham RD Jr, Forest, DL, Tamamis P, López de Victoria A, Kraszni, M, Kieslich, CA, Banna, CD, Bellows-Peterson, ML, Larive, CK, Floudas, CA, Archontis, G, Johnson, LV, Morikis, D. Novel compstatin family peptides inhibit complement activation by drusen-like deposits in human retinal pigmented epithelial cell culturesExperimental Eye Research 2013, 116: 96-108.


Tamamis P, Floudas, CA. Molecular Recognition of CXCR4 by a Dual Tropic HIV-1 gp120 V3 LoopBiophysical Journal 2013, 105 (6): 1502-1514.


Lopez de Victoria, A, Tamamis P, Kieslich, CA, Morikis, D. Insights into the Structure, Correlated Motions, and Electrostatic Properties of two HIV-1 gp120 V3 loops. PLoS ONE 2012, 7 (11): e49925.


Kieslich, CA, Tamamis P, Gorham RD Jr, Lopez de Victoria, A, Sausman, N, Archontis, G, Morikis, D. Exploring protein-protein and protein-ligand interactions in the immune system using molecular dynamics and continuum electrostatics. Current Physical Chemistry 2012, 2 (4): 324-343.


Tamamis P, Lopez de Victoria, A, Gorham, RD, Bellows-Peterson, ML, Pierou, P, Floudas, CA, Morikis, D, Archontis, G. Molecular Dynamics in Drug Design: New Generations of Compstatin AnalogsChemical Biology & Drug Design 2012, 79 (5): 703-718.


Tamamis P, Pierou, P, Mytidou, C, Floudas, CA, Morikis, D, Archontis, G. Design of a modified mouse protein with ligand binding properties of its human analog by molecular dynamics simulations: The case of C3 inhibition by compstatinProteins: Structure, Function, and Bioinformatics 2011, 79 (11): 3166-3179.


Pieridou, G, Avgousti-Menelaou, C, Tamamis P, Archontis, G, Hayes, SC. UV Resonance Raman Study of TTR(105-115) Structural Evolution as a Function of Temperature. Journal of Physical Chemistry B 2011, 115 (14): 4088-4098.


Tamamis P, Archontis, G. Amyloid-like Self-Assembly of a Dodecapeptide Sequence from the Adenovirus Fiber Shaft: Perspectives from Molecular Dynamics Simulations. Journal of Non-Crystalline Solids 2011, 357 (2): 717-722.


Tamamis P, Morikis, D, Floudas, CA, Archontis, G. Species specificity of the complement inhibitor compstatin investigated by all-atom molecular dynamics simulationsProteins 2010, 78 (12): 2655-2667.


Tamamis P, Kasotakis, E, Mitraki, A, Archontis, G. Amyloid-like Self-Assembly of Peptide Sequences from the Adenovirus Fiber Shaft: Insights from Molecular Dynamics Simulations. Journal of Physical Chemistry B 2009, 113 (47): 15639-15647.


Tamamis P, Adler-Abramovich, L, Reches, M, Marshall, K, Sikorski, P, Serpell, L, Gazit, E, Archontis, G. Self-Assembly of Phenylalanine Oligopeptides: Insights from Experiments and Simulations. Biophysical Journal 2009, 96 (12): 5020-5029.


Tamamis P, Skourtis, SS, Morikis, D, Lambris, JD, Archontis, G. Conformational analysis of Compstatin analogues with Molecular Dynamics Simulations in Explicit Water. Journal of Molecular Graphics and Modelling 2007, 26: 571-580.


Conference Proceedings

Tamamis P, Lopez de Victoria, A, Gorham RD Jr, Bellows-Peterson, M, Floudas, CA, Morikis, D, Archontis, G. Insights into the Self- Iterative Computational and Experimental Drug Design Studies of the Complement Inhibitor Compstatin. IAS Series 2012, 8: 209-212.

Lopez de Victoria, A, Tamamis P, Gorham RD Jr, Bellows-Peterson, ML, Floudas, CA, Archontis, G, Morikis, D. Computational and Experimental Analysis of the Interactions Between C3 and Compstatin Family Peptides. Biophysical Journal 2012, 102, 3: 62a.

Gorham RD Jr, Lopez de Victoria, A, Tamamis P, Bellows, ML, Floudas, CA, Archontis, G, Morikis, D. Molecular dynamics simulations give insight into structure-activity relations and species specificity of compstatin - derived peptides. Abstracts of Papers of the American Chemical Society 2011, 241: 120-COMP.

Pieridou G, Avgousti-Menelaou, C, Tamamis P, Archontis, G, Hayes, SC. UV Resonance Raman Study of TTR(105-115) Structural Evolution as a Function of Temperature. AIP Conference Proceedings: XXII International Conference on Raman Spectroscopy 2010, 1267: 871-872.

Tamamis P, Adler-Abramovich, L, Gazit, E, Archontis, G. Insights into the Self-assembly of Phenylalanine Oligopeptides by Replica Exchange MD Simulations with the GBSW Implicit-Solvent Model. NIC Series (CBSB08 Proceedings) 2008, 40: 393-396.

Archontis G, Tamamis P, Skourtis, SS, Morikis D, Lambris, JD. Conformational analysis of Compstatin analogues with molecular dynamics simulations in explicit water. Molecular Immunology 2007, 44 (1): 150.

Tamamis P, Archontis G. Secondary structure of Compstatin analogues: Insights from molecular dynamics simulations in Explicit Water. NIC Series (CBSB06 Proceedings) 2006, 34: 133-136.








Yeonsu Kwak

Ex-Master’s Student

(Graduated in June 2016)









Harry MacTough

Ex-Undergraduate Researcher

Jacob Spies

Ex-Undergraduate Researcher

Andrew Palughi

Ex-Undergraduate Researcher – Graduate Student at Texas A&M University










   Chang-Hyun Choi

Ex-Undergraduate Researcher – Graduate Student at Princeton University

Kate Helms

Ex-Undergraduate Researcher

Jenny Nacu

Ex-Undergraduate Researcher





Alexandra Koskosidis

Ex-High-School Researcher undergrad. at Princeton University





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