Welcome to

Original Investigations

1. Srikanth S, Karthikeyan PP, Sezen M, Sridhar DK, Doppalapudi K, Sen TZ, Ulaganathan V*, Yennamalli RM*. (2026) Calcium Dependent Conformational Changes in Human Transglutaminase 2 and its Implications in Celiac Disease. Journal of Molecular Graphics and Modelling 148:109498. (*Corresponding Authors)
2. Ramesh SD, Vasan G, Senthilkumar S, Thambiraja M, Sethi D, Priyadarshini R*, Yennamalli RM*. (2026) Mapping the Metalloproteome of Deinococcus indicus DR1 through Integrative Structure and Function Annotation. Biodegradation 37:106. (*Corresponding Authors)
3. Marimuthu VKD, Matheswaran K, Thambiraja M, Onteru SK*, Yennamalli RM*. (2026) Meta-Analysis of Transcriptomic Datasets Reveals Key Immune Gene Profiles and Signaling Pathways in Bos taurus. Animal Genetics 57:e70117.
(*Corresponding Authors)
4. Thambiraja M, Iyengar SK, Satishkumar B, Kavuru SR, Katari A, Singh D, Onteru SK* and Yennamalli RM*. (2026) Genetic basis of immunity in Indian cattle as revealed by comparative analysis of Bos genome Scientific Reports 16:11005.
(*Corresponding Authors)
5. Yennamalli RM, Tama F. (2025) Applications of coarse-grained and multiscale modeling (Editorial) Biophysical Journal 125(2): E1-E4
6. Roshan M, Vats A, Bajwa KK, Moses T, Singh D, Yennamalli RM*, Onteru SK*. (2025) Comparative Transcriptome profiling of Peripheral Blood Mononuclear Cells suggests Protocadherin 1 (PCDH1) as a distinctive innate immunity signature in Sahiwal, Tharparkar and Gir compared to Karan Fries cattle Developmental and Comparative Immunology 173: 105512
(*Corresponding Authors)
7. Thambiraja M, Karthikeyan PP, Sezen M, Senthilkumar S, Singh D, Onteru SK*, Yennamalli RM* (2025) ImmFinder: A Fully Connected Neural Network approach for predicting the immune genes in livestock. OMICS: A Journal of Integrative Biology 29(11):551-559.
(*Corresponding Authors)
8. Agarwal R, Biswas K, Agrawal A, Shankar NN, Kundu S, Roy D, Son DH, Yennamalli RM, Lee DK, Bhunia A, Roy S (2025) SA-XV, a 15-amino acid fragment of host defense peptide S100A12, targets mitochondria, and is protective against fungal infections. Journal of Biological Chemistry 301(10): 110743.
9. Roshan M, Vats A, Bajwa KK, Sharma S, Thambiraja M, Sodhi M, Singh D, Yennamalli RM*, Onteru SK* (2025) Kangayam and Tharparkar cattle exhibit higher duplications in innate immune genes compared to Sahiwal, Gir, Karan Fries, and Holstein Friesian: Insights from an Array Comparative Genomic Hybridization. Mammalian Genome 36, 812–826.
(*Corresponding Authors)
10. Durairaj D, Paramasivam S, Rajamohan N, Rajasimman M, Yennamalli RM, Baccoli R, Gatto G (2025) Performance of functionalized CNT membranes for desalination - Parametric effects and Artificial neural network modelling Cleaner Engineering and Technology 26: 100977.
11. Gupta KK, Narasimhan Y, Ravichandran S, Pemaiah B, Chellappan D, Yennamalli RM *, Sridharan S* (2025) Network Pharmacology-Based Modeling of Phytocompounds in a Traditional Siddha Formulation-Kabasurak kudineer with Special Reference to SARS-CoV-2 Indian Journal of Pharmaceutical Education and Research 59(2):682-694.
(*Corresponding Authors)
12. Yennamalli RM, Onteru SK (2025) Immunoinformatics: A Veritable Toolbox for Livestock Omics and Veterinomics. OMICS: A Journal of Integrative Biology 29(2):32-35.
13. Senthilkumar S, Mahesh S, Jaisankar S Yennamalli RM (2025) Surface exposed and charged residues drive thermostability in Fungi PROTEINS: Structure, Function, and Bioinformatics 93(1):226-240. Included in the special issue “Macromolecular Form and Function in the GN Ramachandran Centenary Year”
14. Sahu D , Charu Gupta C, Yennamalli RM, Sharma S, Roy S, Hasan S, Gupta P, Sharma VK, Kashyap S, Kumar S, Dwivedi VP, Zhao X, Panda AK, Das HR, Liu C. (2024) Novel Peptide Inhibitor of Human Tumor Necrosis Factor-α has Antiarthritic Activity. Scientific Reports 14:12935.
15. Saha D, Kothari S, Kulkarni SD, Thambiraja M, Yennamalli RM* , Das DK*. (2024) Genetic heterogeneity and respiratory chain enzyme analysis in pediatric Indian patients with mitochondrial disorder: Report of novel variants in POLG1 gene and their functional implication using molecular dynamic simulation. Mitochondrion 76:101870.
(*Corresponding Authors)
16. Modi M, Thambiraja M, Cherukat A, Yennamalli RM and Priyadarshini R. (2024) Structure predictions and functional insights into Amidase_3 domain containing N-acetylmuramyl-L-alanine amidases from Deinococcus indicus DR1. BMC Microbiology 24:101.
17. Immanuel A, Yennamalli RM* , Ulaganathan V*. (2024) Targeting the Bottlenecks in Levan Biosynthesis Pathway in Bacillus subtilis and Strain Optimization by Computational Modeling and Omics Integration OMICS: A Journal of Integrative Biology 28(2): 49-58.
(*Corresponding Authors)
18. Shahina Z, Yennamalli RM* , Dahms TES*. (2023) Key essential oil components delocalize Candida albicans Kar3p and impact microtubule structure. Microbiological Research 127373.
(*Corresponding Authors)
19. Krishnan S, Gupta K, Sivaraman S, Venkatachalam P, Yennamalli RM* Shanmugam SR* (2023) Waste to drugs: identification of pyrolysis by-products as antifungal agents against Cryptococcus neoformans. Journal of Biomolecular Structure and Dynamics 41:24, 15386-15399.
(*Corresponding Authors)
20. Ranganathan S, Sethi D, Kasivisweswaran S, Ramya L, Priyadarshini R*, Yennamalli RM* .(2023) Structural and functional mapping of ars gene cluster in Deinococcus indicus DR1. Computational and Structural Biotechnology 21: 519-534.
(*Corresponding Authors)
21. Ravichandran S, Avatapalli S, Narasimhan Y, Yennamalli RM* , Kaushik KS*.(2022) 'Targeting the Search': An upgraded structural and functional repository of antimicrobial peptides for biofilm studies (B-AMP v2.0) with a focus on biofilm protein targets. Frontiers in Cellular and Infection Microbiology 12:1020391.
(*Corresponding Authors)
22. Alexandar SP, Yennamalli RM, Ulaganathan V. (2022) Coarse grained modelling highlights the binding differences in the two different allosteric sites of the Human Kinesin EG5 and its implications in inhibitor design. Computational Biology and Chemistry. 99:107708.
23. Mhade S, Panse S, Tendulkar G, Awate R, Narasimhan Y, Kadam S, Yennamalli RM*, Kaushik KS*. (2021) AMPing up the search: A structural and functional repository of antimicrobial peptides (AMPs) for biofilm studies (Biofilm-AMP), and a case study of its application to Corynebacterium striatum, an emerging pathogen. Frontiers in Cellular and Infection Microbiology 11:803774.
(*Corresponding Authors)
24. Pal P, Malavika M, Ravichandran S, Yennamalli RM, Priyadarshini R. (2021) DNA-Binding Properties of YbaB, a Putative Nucleoid-Associated Protein From Caulobacter crescentus. Frontiers in Microbiology 12:733344.
25. Chatterjee J, Coe RA, Acebron K, Thakur V, Yennamalli RM, Danila F, Lin HC, Balahadia P, Bagunu E, Padhmapreiya POS, Bala S, Yin X, Rizal G, Dionora J, Furbank RT, Caemmerer SV, Quick WA. (2021) Identification of a low CO2 responsive mutant from chemical mutagenesis of Setaria viridis shows that reduced carbonic anhydrase severely limits C4 photosynthesis. Journal of Experimental Botany 72(8):3122-3136.
26. Yennamalli RM, Srivastava PA, Sarswati S, Garlapati VK. (2020) Recombinant production and Molecular Docking studies of Casoplatelin, a bioactive peptide. The Open Biotechnology Journal. 14: 84-92.
27. Singh S, Yennamalli RM, Gupta M, Changotra H. (2020) Identification of nsSNPs of transcription factor E2F1 predisposing individuals to Lung Cancer and Head and Neck Cancer. Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis. 821: 111704.
28. Srivastava PA, Hegg EL, Fox BG, Yennamalli RM*. (2020) PreDSLpmo: a neural network-based prediction tool for functional annotation of lytic polysaccharide monooxygenases. Journal of Biotechnology. 308:148-155.
(*Corresponding Author)
29. Gondil VS, Dube T, Panda JJ, Yennamalli RM, Harjai K, Chhibber S. (2020) Comprehensive evaluation of chitosan nanoparticle based phage lysin delivery system; a novel approach to counter S. pneumoniae infections. International Journal of Pharmaceutics.573: 118850.
30. Katoch P, Gupta K, Yennamalli RM, Vashistt J, Bisht GS, Shrivastava R. (2020) Random insertion transposon mutagenesis of Mycobacterium fortuitum identified mutant defective in biofilm formation. Biochemical and Biophysical Research Communications. 521(4): 991-996.
31. Singh D, Soni S, Khan S, Sarangi A, Yennamalli RM, Aggarwal R, Veerapu NS.(2020) Full-genome mutant libraries of hepatitis C virus reveal genome plasticity for replication. The FEBS Journal. 287 (11): 2328-2347.
32. Singaraju GS, Sagar A, Kumar A, Samuel JS, Hazra JP, Sannigrahi MK, Yennamalli RM, Ashish, Rakshit S. (2020) Structural Basis of the Strong Cell-Cell Junction Formed by cadherin-23. Journal of Virology. 94(3): e01327-19.
33. Teotia D, Gaid M, Saini SS, Verma A, Yennamalli RM, Khare SP, Ambatipudi K, Mir JI, Hänsch R, Partha Roy P, Agrawal PK, Beerhues L, Sircar D. (2019) Cinnamate:CoA-ligase is involved in benzoate-derived biphenyl phytoalexin biosynthesis in Malus×domestica 'Golden Delicious' cell cultures. The Plant Journal. 100(6): 1176-1192.
34. Chauhan D, Srivastava PA, Ritzl B, Yennamalli RM, Cava F, Priyadarshini R. (2019) Amino Acid-Dependent Alterations in Cell Wall and Cell Morphology of Deinococcus indicus DR1. Frontiers in Microbiology. 10:1449.
35. Poonam, Yennamalli RM, Bisht GS, Shrivastava R. (2019) Ribosomal Maturation Factor (RimP) is essential for Survival of Nontuberculous Mycobacteria Mycobacterium fortuitum under In vitro Acidic Stress Conditions. 3Biotech. 9(4):127.
36. Arora R, Bharval P, Sarswati S, Sen TZ, Yennamalli RM* (2019) Structural Dynamics of Lytic Polysaccharide Monoxygenases reveals a Highly Flexible Substrate Binding Region. . Journal of Molecular Graphics and Modelling. 88:1-10.
(*Corresponding Author)
37. Kumar A, Mehta V, Raj U, Varadwaj PK, Malairaman U, Yennamalli RM, Singh TR. (2019) Computational and in-vitro validation of natural molecules as potential Acetylcholinesterase inhibitors and neuroprotective agents. Current Alzheimer Research. 16(2): 116-127.
38. Chauhan D, Srivastava PA, Agnihotri V, Yennamalli RM*, Priyadarshini R*. (2019) Structure and Function Prediction of Arsenate Reductase from Deinococcus indicus DR1.Journal of Molecular Modeling. 25(1):15.
(*Co-Corresponding Authors)
39. Panigrahi PP, Singla R, Bansal A, Junior MC, Jaitak V, Yennamalli RM, Singh TR. (2018) In silico Screening and Molecular Interaction Studies of Tetrahydrocannabinol and its Derivatives with Acetylcholine Binding Protein. Current Chemical Biology. 12 (2): 181-190
40. Shukla A, Yennamalli RM* Singh TR*. (2018) Network and structure based inference of functional single nucleotide polymorphisms associated with the TGFβ1 gene and its role in colorectal cancer (CRC).Gene Reports 11: 131-142. (*Co-Corresponding Authors)
41. Singh N, Sharma SD, Yennamalli RM*(2017) Modified S-transform as a tool to identify secondary structure elements in RNA. Bio-Algorithms and Med-Systems 13(4):187-193.
(*Corresponding Author)
42. Chauhan D, Srivastava PA, Yennamalli RM, Priyadarshini R. (2017) Draft Genome Sequence of Deinococcus indicus DR1, a Novel Strain Isolated from a Freshwater Wetland. Genome Announcements. 5(31): e00754-17.
43. Vij A, Yennamalli RM, Changotra H. (2017) Non-synonymous Single Nucleotide Polymorphisms of ATG5 destabilize ATG12-ATG5-ATG16L1 complex: an enzyme with E3 like activity of Ubiquitin conjugation system. MetaGene 13: 38-47.
44. Chang CY, Lohman JR, Cao H, Tan K, Rudolf JD, Ma M, Xu W, Bingman CA, Yennamalli RM, Bigelow L, Babnigg G, Yan X, Joachimiak A, Phillips GN Jr, Shen B. (2016) Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase that Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate in Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus. Biochemistry. 55 (36):5142-5154.
45. Jones DC, Zheng W, Huang S, Du C, Zhao X, Yennamalli RM, Sen TZ, Nettleton D, Wurtele ES, Li L. (2016) A clade-specific Arabidopsis gene connects primary metabolism and senescence. Frontiers in Plant Science. 7: 983.
46. Gautam LK, Yennamalli RM*, Rathore JS*. (2016) Implication on the function of novel Xn-relE toxin structure of Xenorhabdus nematophila using Homology modeling. Current Bioinformatics. 12 (6):535-542. (*Co-Corresponding author)
47. Huang T, Chang CY, Lohman J, Rudolf J, Kim Y, Chang C, Yang D, Ma M, Yan X, Crnovcic I, Bigelow L, Clancy S, Bingman CA, Yennamalli RM, Babnigg G, Joachimiak A, Phillips GN Jr. (2016) Crystal Structure of SgcJ, An NTF2-Like Superfamily Protein Involved in Biosynthesis of the 9-Membered Enediyne Antitumor Antibiotic C-1027. The Journal of Antibiotics. 69(10):731-740.
48. Chauhan M*, Yennamalli RM*, Garlapati VK. (2016) Biochemical and Molecular Characterization of a unique lipase from Staphylococcus arlettae JPBW1. Engineering in Life Sciences 16(8):762–768 (* Equal authors)
49. Cao H, Tan K, Wang F, Bigelow L, Yennamalli RM, Jedrzejczak R, Babnigg G, Bingman CA, Joachimiak A, Kharel MK, Singh S, Thorson J, Phillips. GN, Jr. (2016) Structural Dynamics of a Methionine γ-Lyase for Calicheamicin Biosynthesis: Rotation of the Conserved Tyrosine Stacking with Pyridoxal Phosphate Structural Dynamics. 3, 034702
50. Singh S, Michalska K, Bigelow L, Endres M, Kharel MK, Babnigg G, Yennamalli RM, Bingman CA, Joachimiak A, Thorson JS, Phillips GN Jr. (2015) Structural Characterization of CalS8, a TDP-alpha-D-Glucose Dehydrogenase Involved in Calicheamicin Aminodideoxypentose Biosynthesis. Journal of Biological Chemistry. 290(43):26249-26258.
51. Auldridge ME, Cao H, SenS, FranzLP, Bingman CA, Yennamalli RM, Phillips GN Jr, Mead D, Steinmetz EJ. (2015) LucY: a versatile new fluorescent reporter protein. PLOS One. 10(4):e0124272
52. Weerth RS, Michalska K, Bingman CA, Yennamalli RM, Li H, Jedrzejczak R, Wang F, Babnigg G, Joachimiak A, Thomas MG, Phillips GN Jr. (2015) Structure of a cupin protein Plu4264 from Photorhabdus luminescens subsp. laumondii TTO1 at 1.35Å resolution. Proteins: Structure, Function, and Bioinformatics. 83(2):383-388.
53. Book AJ*, Yennamalli RM*, Takasuka TE*, Currie CR, Phillips GN, Fox BG. (2014) Evolution of substrate specificity in bacterial AA10 lytic polysaccharide monooxygenases. Biotechnology for Biofuels. 7:109 (*Equal authors)
54. Elshahawi SI, Ramelot TA, Seetharaman J, Chen J, Singh S, Yang Y, Pederson K, Kharel MK, Xiao R, Lew S, Yennamalli RM, Miller MD, Wang F, Tong L, Montelione GT, Kennedy MA, Bingman CA, Zhu H, Phillips GN Jr, Thorson JS. (2014) Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19. ACS Chemical Biology. 9(10):2347-2358.
55. Yennamalli RM, Arangarasan R, Bryden A, Gleicher M, Phillips GN. (2014) Using commodity HDTV for Collaborative Structural Biology. Journal of Applied Crystallography. 29: 47 (Pt 3): 1153-1157.
56. Ilgu M, Fulton BD, Yennamalli RM, Lamm MH, Sen TZ, Nilsen-Hamilton M. (2014) An Adaptable Pentaloop Defines a Robust Neomycin-B RNA Aptamer with Conditional Ligand Bound Structures. RNA. 20(6): 815-824.
57. Wang F, Zhou M, Singh S, Yennamalli RM, Bingman CA, Thorson JS, Phillips GN Jr. (2013) Crystal structure of SsfS6, the putative C-glycosyltransferase involved in SF2575 biosynthesis.Proteins: Structure, Function, and Bioinformatics. 81(7): 1277-1282.
58. Rader AJ, Yennamalli RM, Harter AK, Sen TZ. (2012) A rigid network of long-range contacts increases thermostability in a mutant endoglucanase. Journal of Biomolecular Structure and Dynamics. 30(6): 628-637
59. Yennamalli RM, Wolt JD, Sen TZ. (2011) Dynamics of endoglucanase catalytic domains: Implications towards thermostability. Journal of Biomolecular Structure and Dynamics. 29(3): 509-526.
60. Yennamalli RM, Rader AJ, Wolt JD, Sen TZ. (2011) Thermostability in Endoglucanases is Fold-specific. BMC Structural Biology. 11:10.
61. Khan SN, Yennamalli RM, Subbarao N, Khan AU. (2010) Mitoxantrone Induced Impediment of Histone Acetylation and Structural Flexibility of the Protein. Cell Biochemistry and Biophysics 60(3): 209-218.
62. Hambarde S, Yennamalli RM, Subbarao N, Chandna S. (2010) Predictive inference on cytoplasmic and mitochondrial thioredoxin peroxidases in the highly radioresistant Lepidopteran insect Spodoptera frugiperda. Bioinformation. 4(9):399-404.
63. Yennamalli RM*, Das S*, Vishnoi A*, Gupta P, Bhattacharya A. (2009) Single-nucleotide variations associated with Mycobacterium tuberculosis KwaZulu-Natal strains. Journal of Biosciences. 34(3):397-404. (*Equal authors)
64. Kampmann T, Yennamalli RM, Campbell P, Stoermer MJ, Fairlie DP, Kobe B, Young PR. (2009) In silico screening of small molecule libraries using the dengue virus envelope E protein has identified compounds with antiviral activity against multiple flaviviruses. Antiviral Research. 84(3):234-241.
65. Vashist J, Vishvanath, Kapoor R, Kapil A, Yennamalli RM, Subbarao N, Rajeswari MR. (2009) Interaction of nalidixic acid and ciprofloxacin with wild type and mutated quinolone-resistance-determining region of DNA gyrase A. Indian Journal of Biochemistry and Biophysics. 46(2):147-153.
66. Yennamalli RM, Subbarao N, Kampmann T, McGeary RP, Young PR, Kobe B. (2009) Identification of novel target sites and an inhibitor of the dengue virus E protein. Journal of Computer-Aided Molecular Design. 23(6):333-341.
67. Khan SN, Islam B, Yennamalli RM, Zia Q, Subbarao N, Khan AU. (2008) Characterization of doxorubicin binding site and drug induced alteration in the functionally important structural state of oxyhemoglobin. Journal of Pharmaceutical and Biomedical Analysis. 48(4):1096-1104.
68. Khan SN, Islam B, Yennamalli RM, Sultan A, Subbarao N, Khan AU. (2008) Interaction of mitoxantrone with human serum albumin: spectroscopic and molecular modeling studies. European Journal of Pharmaceutical Sciences. 35(5):371-382.
69. Mueller DS, Kampmann T, Yennamalli RM, Young PR, Kobe B, Mark AE. (2008) Histidine protonation and the activation of viral fusion proteins. Biochemical Society Transactions. 36(Pt 1):43-45.

Reviews

1. Ranganathan S, Mahesh S, Suresh S, Nagarajan A, Sen TZ, Yennamalli RM. (2022) Experimental and Computational studies of Cellulases as Bioethanol enzymes. Bioengineered 13(5): 14028-14046.
2. Arora M, Sen TZ, Yennamalli RM. (2018) Application of molecular simulations toward understanding cellulase mechanisms. BioEnergy Research. 11 (4): 850-867.
3. Srivastava PA, Kalra S, Yennamalli RM. (2017) Structural Bioinformatics and Big Data Analytics: A mini-review. International Journal of Computational Biology 6 (1): 25-30.
4. Yennamalli RM, Kalra S, Srivastava PA, Garlapati VK. (2017) Computational Tools and Resources for CRISPR/Cas 9 Genome Editing Method: Mini Review. MOJ Proteomics and Bioinformatics 5(4): 00164.
5. Yennamalli RM, Rader AJ, Kenny AJ, Wolt JD, Sen TZ. (2013) Endoglucanases: Insights into Thermostability for Biofuel Applications. Biotechnology for Biofuels 6:136.

Book Chapters

1. Ramya L, Raghunathan P, Yennamalli RM. (2024) Protein Design. In: Ranganathan, S., Gribskov, M., Nakai, K. and Schönbach, C. (eds.), Encyclopedia of Bioinformatics and Computational Biology, 2nd Edition, In Press. Oxford: Elsevier.
2. Sharma A, Yennamalli RM. (2023) Docking Strategies. In Bhatt AK, Bhatia RK, Bhalla TC. Basic Biotechniques for Bioprocess and Bioentrepreneurship. Elsevier publications. [ISBN: 9780128161098]
3. Martin HI, Agnihotri V, Yennamalli RM, Aurijit Sarkar (2023) Methods of protein and drug interaction. In Bhatt AK, Bhatia RK, Bhalla TC. Basic Biotechniques for Bioprocess and Bioentrepreneurship. Elsevier publications. [ISBN: 9780128161098]
4. Yennamalli RM. (2019) Protein Design. In: Ranganathan, S., Gribskov, M., Nakai, K. and Schönbach, C. (eds.), Encyclopedia of Bioinformatics and Computational Biology, vol. 3, pp. 644–651. Oxford: Elsevier. [ISBN: 9780128096338]
5. Srivastava PA, Yennamalli RM. (2019) OMIC Technologies in Bioethanol Production: An Indian Context. In Rintu Banerjee, Garlapati Vijay Kumar, and S.P. Jeevan Kumar, OMICS-based Approaches for Plant Biotechnology (1st, pp. 217-243). Austin, USA: Wiley-Scrivener Publishing House. [ISBN: 9781119509936]