| De Novo Design of New Chemical Entities (NCEs) for SARS-CoV-2 Using Artificial Intelligence N Bung, SR Krishnan, G Bulusu, A Roy Future Medicinal Chemistry 13 (6), 575-585, 2021 | 70 | 2021 |
| Accelerating De Novo Drug Design against Novel Proteins Using Deep Learning SR Krishnan, N Bung, G Bulusu, A Roy Journal of Chemical Information and Modeling 61 (2), 621-630, 2021 | 57 | 2021 |
| De Novo Structure-Based Drug Design Using Deep Learning SR Krishnan, N Bung, SR Vangala, R Srinivasan, G Bulusu, A Roy Journal of Chemical Information and Modeling, 2021 | 42 | 2021 |
| De novo design of new chemical entities (NCEs) for SARS-CoV-2 using artificial intelligence N Bung, SR Krishnan, G Bulusu, A Roy | 30 | 2020 |
| An In Silico Explainable Multi-Parameter Optimization Approach for De Novo Drug Design Against Proteins from Central Nervous System N Bung, SR Krishnan, A Roy Journal of Chemical Information and Modeling, 2022 | 12 | 2022 |
| A network-based approach reveals novel invasion and Maurer's clefts-related proteins in Plasmodium falciparum D Das, SR Krishnan, A Roy, G Bulusu Molecular Omics 15 (6), 431-441, 2019 | 9 | 2019 |
| pBRICS: a novel fragmentation method for explainable property prediction of drug-like small molecules SR Vangala, SR Krishnan, N Bung, R Srinivasan, A Roy Journal of Chemical Information and Modeling 63 (16), 5066-5076, 2023 | 4 | 2023 |
| R-SIM: A database of binding affinities for RNA-small molecule interactions SR Krishnan, A Roy, MM Gromiha Journal of Molecular Biology, 2022 | 4 | 2022 |
| An Interpretable Machine Learning model for Selectivity of Small Molecules against Homologous Protein Family SR Vangala, N Bung, SR Krishnan, A Roy Future Medicinal Chemistry, 2022 | 4 | 2022 |
| De novo design of anti-tuberculosis agents using a structure-based deep learning method SR Krishnan, N Bung, S Padhi, G Bulusu, P Misra, M Pal, S Oruganti, ... Journal of Molecular Graphics and Modelling, 2022 | 3 | 2022 |
| Reliable method for predicting the binding affinity of RNA-small molecule interactions using machine learning SR Krishnan, A Roy, MM Gromiha Briefings in Bioinformatics 25 (2), bbae002, 2024 | 2 | 2024 |
| Generating Novel Leads for Drug Discovery using LLMs with Logical Feedback SB Brahmavar, A Srinivasan, T Dash, SR Krishnan, L Vig, A Roy, R Aduri Proceedings of the AAAI Conference on Artificial Intelligence 38 (1), 21-29, 2024 | 1 | 2024 |
| Understanding Drug Resistance of Wild-Type and L38HL Insertion Mutant of HIV-1 C Protease to Saquinavir S Venkatachalam, N Murlidharan, SR Krishnan, C Ramakrishnan, ... Genes 14 (2), 533, 2023 | 1 | 2023 |
| AutoPLP: A Padlock Probe Design Pipeline for Zoonotic Pathogens SR Krishnan, RRG Soares, N Madaboosi, MM Gromiha ACS infectious diseases 9 (3), 459-469, 2023 | 1 | 2023 |
| Target-specific novel molecules with their recipe: Incorporating synthesizability in the design process SR Krishnan, N Bung, R Srinivasan, A Roy Journal of Molecular Graphics and Modelling, 108734, 2024 | | 2024 |
| Mechanism of drug resistance in HIV-1 protease subtype C in the presence of Atazanavir SV Sankaran, SR Krishnan, Y Sayed, MM Gromiha Current Research in Structural Biology, 100132, 2024 | | 2024 |
| Method and system for structure-based drug design using a multi-modal deep learning model ROY Arijit, R Srinivasan, SR Vangala, SR Krishnan, B Navneet, G Bulusu US Patent App. 17/969,021, 2023 | | 2023 |
| Domain-aware representation of small molecules for explainable property prediction models SR Vangala, SR Krishnan, N Bung, R Srinivasan, A Roy ICLR 2023 - Machine Learning for Drug Discovery workshop, 2023 | | 2023 |
| Systems and methods for predicting potential inhibitors of target protein ROY Arijit, SR KRISHNAN, B Navneet, G Bulusu US Patent App. 17/137,001, 2022 | | 2022 |
| De novo design of small molecules against drug targets of central nervous system using multi-property optimization N Bung, SR Krishnan, A Roy Machine Learning for Molecules Workshop - NeurIPS 2020, 2020 | | 2020 |
Arijit RoyTCS Research, HyderabadVerified email at tcs.com
