| A Reverse Vaccinology Approach for the Identification of Potential Vaccine Candidates from Leishmania spp L John, GJ John, T Kholia Applied biochemistry and biotechnology 167, 1340-1350, 2012 | 69 | 2012 |
| Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis (MPDSTB) AS Gaur, A Bhardwaj, A Sharma, L John, MR Vivek, N Tripathi, ... Journal of Chemical Sciences, 1-17, 0 | 20* | |
| A QSAR and molecular modelling study towards new lead finding: polypharmacological approach to Mycobacterium tuberculosis S Janardhan, L John, M Prasanthi, V Poroikov, G Narahari Sastry SAR and QSAR in Environmental Research 28 (10), 815-832, 2017 | 18 | 2017 |
| Chemoinformatics and Machine Learning Approaches for Identifying Antiviral Compounds L John, Y Soujanya, HJ Mahanta, GN Sastry Molecular informatics, e2100190, 2021 | 14 | 2021 |
| Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing SS Madugula, L John, S Nagamani, AS Gaur, VV Poroikov, GN Sastry Computers in Biology and Medicine 138, 104856, 2021 | 14 | 2021 |
| Towards systematic exploration of chemical space: building the fragment library module in molecular property diagnostic suite AS Gaur, L John, N Kumar, MR Vivek, S Nagamani, HJ Mahanta, ... Molecular Diversity 27 (3), 1459-1468, 2023 | 9 | 2023 |
| Assessing machine learning approaches for predicting failures of investigational drug candidates during clinical trials L John, HJ Mahanta, Y Soujanya, GN Sastry Computers in Biology and Medicine 153, 106494, 2023 | 6 | 2023 |
| Virtual screening and repositioning of inconclusive molecules of beta-lactamase bioassays—A data mining approach A Gad, AT Manuel, KR Jinuraj, L John, R Sajeev, SP VG, AJ UC Computational biology and chemistry 70, 65-88, 2017 | 3 | 2017 |
| Molecular Property Diagnostic Suite Compound Library (MPDS-CL): a structure-based classification of the chemical space L John, S Nagamani, HJ Mahanta, S Vaikundamani, N Kumar, A Kumar, ... Molecular Diversity, 1-17, 2023 | 2 | 2023 |
| Analyzing the cation‐aromatic interactions in proteins: Cation‐aromatic database V2. 0 YB Kumar, N Kumar, L John, HJ Mahanta, S Vaikundamani, S Nagamani, ... Proteins: Structure, Function, and Bioinformatics 92 (2), 179-191, 2024 | | 2024 |
| Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal L Priyadarsinee, E Jamir, S Nagamani, HJ Mahanta, N Kumar, L John, ... GigaByte 2024, 2024 | | 2024 |
| Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): An open access disease specific drug discovery portal (preprint) GN Sastry, L Priyadarsinee, E Jamir, S Nagamani, HJ Mahanta, N Kumar, ... | | 2023 |
| Molecular Property Diagnostic Suite: An Advanced Module for Machine Learning Applications in Drug Discovery L John, HJ Mahanta, S Nagamani, L Priyadarsinee, D Das, GN Sastry Current Trends in Theoretical Chemistry (CTTC-2020), 2021 | | 2021 |
