Effects of protein interface mutations on protein quality and affinity JK de Kanter, E Smorodina, A Minnegalieva, M Arts, LM Blaabjerg, ... bioRxiv, 2026.03. 24.713863 , 2026 2026
Identification of a type 1 diabetes–associated T cell receptor repertoire signature from the human peripheral blood P Rawat, MR Shapiro, LD Peters, M Widrich, K Mayer-Blackwell, ... Science Advances 12 (7), eadx7448 , 2026 2026 Citations: 14
Investigating protein aggregation in protein-carbohydrate interfaces using sequence and structural features S Lekshmi, NRS Shanmugam, R Prabakaran, P Rawat, MM Gromiha Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics, 141131 , 2026 2026
TCR2HLA: calibrated inference of HLA genotypes from TCR repertoires enables identification of immunologically relevant metaclonotypes K Mayer-Blackwell, A Minervina, M Pogorelyy, P Rawat, MR Shapiro, ... PLOS Computational Biology 22 (1), e1013767 , 2026 2026 Citations: 1
YAbS: The Antibody Society’s antibody therapeutics database P Rawat, S Crescioli, R Prabakaran, D Sharma, V Greiff, JM Reichert Mabs 17 (1), 2468845 , 2025 2025 Citations: 7
Quantitative mapping of antigen specificity in adaptive immune repertoire embedding spaces M Frolenkova, N Cardente, J Zhong, E Egorov, G Isacchini, J Limenitakis, ... bioRxiv, 2025.12. 09.692930 , 2025 2025
Pan-carcinoma sialyl-Tn-targeting expands CAR therapy to solid tumors R Abrantes, C Forcados, DJ Warren, L Santos-Ferreira, KG Fleten, ... Cell Reports Medicine 6 (9) , 2025 2025 Citations: 12
Investigating Local Sequence‐Structural Attributes of Amyloidogenic Light Chain Variable Domains P Rawat, R Prabakaran, D Sharma, V Mandala, V Greiff, S Kumar, ... Proteins: Structure, Function, and Bioinformatics 93 (9), 1451-1464 , 2025 2025 Citations: 3
Training data composition determines machine learning generalization and biological rule discovery E Ursu, A Minnegalieva, P Rawat, M Chernigovskaya, R Tacutu, ... Nature Machine Intelligence 7 (8), 1206-1219 , 2025 2025 Citations: 24
Computational Biophysical Analyses of Antibody Structure-Function Relationships with Emphasis on Therapeutic Antibody-Based Biologics P Rawat, E Smorodina, D Sharma, R Prabakaran, J Wade, R Akbar, ... Biopharmaceutical Informatics, 161-200 , 2025 2025
Structural modeling of antibody variant epitope specificity with complementary experimental and computational techniques E Smorodina, O Crook, JR Loeffler, MLF Quintero, LM Weissenborn, ... ICLR 2025 Workshop on Generative and Experimental Perspectives for … , 2025 2025 Citations: 5
Deciphering the modulatory role of mutations in protein aggregation through in silico methods R Prabakaran, P Rawat, S Kumar, MM Gromiha PROTEIN MUTATIONS: Consequences on Structure, Functions, and Diseases, 3-38 , 2025 2025 Citations: 1
Decoding the evolution of COVID-19 through mutational studies on SARS-CoV-2 D Sharma, P Rawat, MM Gromiha PROTEIN MUTATIONS: Consequences on Structure, Functions, and Diseases, 291-328 , 2025 2025
Biophysical cartography of the native and human-engineered antibody landscapes quantifies the plasticity of antibody developability H Bashour, E Smorodina, M Pariset, J Zhong, R Akbar, M Chernigovskaya, ... Communications Biology 7 (1), 922 , 2024 2024 Citations: 37
Simple computational methods can outperform deep learning in designing diverse, binder-enriched antibody libraries L Chinery, AM Hummer, BB Mehta, R Akbar, P Rawat, A Slabodkin, ... bioRxiv, 2024.03. 26.586756 , 2024 2024 Citations: 4
Baselining the buzz. Trastuzumab-HER2 Affinity, and Beyond! L Chinery, AM Hummer, BB Mehta, R Akbar, P Rawat, A Slabodkin, ... 2024 Citations: 25
Predicting the immune escape of SARS-CoV-2 neutralizing antibodies upon mutation D Sharma, P Rawat, V Greiff, V Janakiraman, MM Gromiha Biochimica et Biophysica Acta (BBA)-Molecular Basis of Disease 1870 (2), 166959 , 2024 2024 Citations: 9
Adaptive immune receptor repertoire analysis V Mhanna, H Bashour, K Lê Quý, P Barennes, P Rawat, V Greiff, ... Nature Reviews Methods Primers 4 (1), 6 , 2024 2024 Citations: 65
ExpoSeq: simplified analysis of high-throughput sequencing data from antibody discovery campaigns CV Sørensen, N Hofmann, P Rawat, FV Sørensen, A Ljungars, V Greiff, ... Bioinformatics advances 4 (1), vbae020 , 2024 2024 Citations: 2
Toward real-world automated antibody design with combinatorial Bayesian optimization A Khan, AI Cowen-Rivers, A Grosnit, PA Robert, V Greiff, E Smorodina, ... Cell Reports Methods 3 (1) , 2023 2023 Citations: 94
MOST CITED SCHOLAR PUBLICATIONS
Progress and challenges for the machine learning-based design of fit-for-purpose monoclonal antibodies R Akbar, H Bashour, P Rawat, PA Robert, E Smorodina, TS Cotet, ... MAbs 14 (1), 2008790 , 2022 2022 Citations: 131
Toward real-world automated antibody design with combinatorial Bayesian optimization A Khan, AI Cowen-Rivers, A Grosnit, PA Robert, V Greiff, E Smorodina, ... Cell Reports Methods 3 (1) , 2023 2023 Citations: 94
Unconstrained generation of synthetic antibody–antigen structures to guide machine learning methodology for antibody specificity prediction PA Robert, R Akbar, R Frank, M Pavlović, M Widrich, I Snapkov, ... Nature Computational Science 2 (12), 845-865 , 2022 2022 Citations: 75
ANuPP: a versatile tool to predict aggregation nucleating regions in peptides and proteins R Prabakaran, P Rawat, S Kumar, MM Gromiha Journal of molecular biology 433 (11), 166707 , 2021 2021 Citations: 73
Protein aggregation: in silico algorithms and applications R Prabakaran, P Rawat, AM Thangakani, S Kumar, MM Gromiha Biophysical reviews 13 (1), 71-89 , 2021 2021 Citations: 69
Adaptive immune receptor repertoire analysis V Mhanna, H Bashour, K Lê Quý, P Barennes, P Rawat, V Greiff, ... Nature Reviews Methods Primers 4 (1), 6 , 2024 2024 Citations: 65
CPAD 2.0: a repository of curated experimental data on aggregating proteins and peptides P Rawat, R Prabakaran, R Sakthivel, A Mary Thangakani, S Kumar, ... Amyloid 27 (2), 128-133 , 2020 2020 Citations: 50
Exploring the sequence features determining amyloidosis in human antibody light chains P Rawat, R Prabakaran, S Kumar, MM Gromiha Scientific Reports 11 (1), 13785 , 2021 2021 Citations: 40
Biophysical cartography of the native and human-engineered antibody landscapes quantifies the plasticity of antibody developability H Bashour, E Smorodina, M Pariset, J Zhong, R Akbar, M Chernigovskaya, ... Communications Biology 7 (1), 922 , 2024 2024 Citations: 37
Why are ACE2 binding coronavirus strains SARS‐CoV/SARS‐CoV‐2 wild and NL63 mild? P Rawat, S Jemimah, PK Ponnuswamy, MM Gromiha Proteins: Structure, Function, and Bioinformatics 89 (4), 389-398 , 2021 2021 Citations: 34
An in-silico method for identifying aggregation rate enhancer and mitigator mutations in proteins P Rawat, S Kumar, MM Gromiha International Journal of Biological Macromolecules 118, 1157-1167 , 2018 2018 Citations: 30
A novel hybrid SEIQR model incorporating the effect of quarantine and lockdown regulations for COVID-19 R Prabakaran, S Jemimah, P Rawat, D Sharma, MM Gromiha Scientific reports 11 (1), 24073 , 2021 2021 Citations: 28
Baselining the buzz. Trastuzumab-HER2 Affinity, and Beyond! L Chinery, AM Hummer, BB Mehta, R Akbar, P Rawat, A Slabodkin, ... 2024 Citations: 25
AggreRATE-Pred: a mathematical model for the prediction of change in aggregation rate upon point mutation P Rawat, R Prabakaran, S Kumar, MM Gromiha Bioinformatics 36 (5), 1439-1444 , 2020 2020 Citations: 25
Training data composition determines machine learning generalization and biological rule discovery E Ursu, A Minnegalieva, P Rawat, M Chernigovskaya, R Tacutu, ... Nature Machine Intelligence 7 (8), 1206-1219 , 2025 2025 Citations: 24
Evaluation of in silico tools for the prediction of protein and peptide aggregation on diverse datasets R Prabakaran, P Rawat, S Kumar, MM Gromiha Briefings in Bioinformatics 22 (6), bbab240 , 2021 2021 Citations: 19
Elucidating important structural features for the binding affinity of spike‐SARS‐CoV‐2 neutralizing antibody complexes D Sharma, P Rawat, V Janakiraman, MM Gromiha Proteins: Structure, Function, and Bioinformatics 90 (3), 824-834 , 2022 2022 Citations: 18
Exploring antibody repurposing for COVID-19: beyond presumed roles of therapeutic antibodies P Rawat, D Sharma, A Srivastava, V Janakiraman, MM Gromiha Scientific reports 11 (1), 10220 , 2021 2021 Citations: 18
AbsoluRATE: An in-silico method to predict the aggregation kinetics of native proteins P Rawat, R Prabakaran, S Kumar, MM Gromiha Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1869 (9), 140682 , 2021 2021 Citations: 17
Identification of a type 1 diabetes–associated T cell receptor repertoire signature from the human peripheral blood P Rawat, MR Shapiro, LD Peters, M Widrich, K Mayer-Blackwell, ... Science Advances 12 (7), eadx7448 , 2026 2026 Citations: 14