| Quantitative assessment of the conformational heterogeneity in amylose across force fields JK Koneru, X Zhu, J Mondal Journal of Chemical Theory and Computation 15 (11), 6203-6212, 2019 | 17 | 2019 |
| DNA-functionalized gold nanorods for perioperative optical imaging and photothermal therapy of triple-negative breast cancer S Pal, JK Koneru, C Andreou, T Rakshit, VK Rajasekhar, M Wlodarczyk, ... ACS Applied Nano Materials 5 (7), 9159-9169, 2022 | 16 | 2022 |
| Clustering Heterogeneous Conformational Ensembles of Intrinsically Disordered Proteins with t-Distributed Stochastic Neighbor Embedding R Appadurai, JK Koneru, M Bonomi, P Robustelli, A Srivastava Journal of Chemical Theory and Computation, 2023 | 14 | 2023 |
| In Silico reoptimization of binding affinity and drug-resistance circumvention ability in kinase inhibitors: a case study with RL-45 and Src kinase JK Koneru, S Sinha, J Mondal The Journal of Physical Chemistry B 123 (31), 6664-6672, 2019 | 10 | 2019 |
| Molecular dynamics simulations elucidate oligosaccharide recognition pathways by galectin-3 at atomic resolution JK Koneru, S Sinha, J Mondal Journal of Biological Chemistry 297 (5), 2021 | 6 | 2021 |
| Spontaneous transmembrane pore formation by short-chain synthetic peptide JK Koneru, DD Prakashchand, N Dube, P Ghosh, J Mondal Biophysical Journal 120 (20), 4557-4574, 2021 | 6 | 2021 |
| Demultiplexing the heterogeneous conformational ensembles of intrinsically disordered proteins into structurally similar clusters R Appadurai, JK Koneru, M Bonomi, P Robustelli, A Srivastava bioRxiv, 2022.11. 11.516231, 2022 | 2 | 2022 |
| DNA-functionalized Gold Nanorods for Targeted Triple-modal Optical Imaging and Photothermal Therapy of Triple-negative Breast Cancer S Pal, JK Koneru, C Andreou, T Rakshit, VK Rajasekhar, M Wlodarczyk, ... bioRxiv, 2022.02. 12.480219, 2022 | 1 | 2022 |
| Molecular Determinants of Ligand Residence in Galectin JK Koneru, S Sinha, J Mondal bioRxiv, 2021.06. 21.449218, 2021 | | 2021 |
| Quantitative assessment of amylose dimerization process across force fields JK Koneru, J Mondal JOURNAL OF THE INDIAN CHEMICAL SOCIETY 96 (7), 949-956, 2019 | | 2019 |
| Molecular View of Biomimetic Peptide in Action with Membrane J Koneru, DD Prakashchand, N Dube, P Ghosh, J Mondal | | |
