| Hsp90: Friends, clients and natural foes S Verma, S Goyal, S Jamal, A Singh, A Grover Biochimie 127, 227-240, 2016 | 99 | 2016 |
| Hydrophobic interactions are a key to MDM2 inhibition by polyphenols as revealed by molecular dynamics simulations and MM/PBSA free energy calculations S Verma, S Grover, C Tyagi, S Goyal, S Jamal, A Singh, A Grover PloS one 11 (2), e0149014, 2016 | 85 | 2016 |
| Artificial Intelligence and Machine learning based prediction of resistant and susceptible mutations in Mycobacterium tuberculosis S Jamal, M Khubaib, R Gangwar, S Grover, A Grover, SE Hasnain Scientific reports 10 (1), 5487, 2020 | 77 | 2020 |
| Predicting neurological adverse drug reactions based on biological, chemical and phenotypic properties of drugs using machine learning models S Jamal, S Goyal, A Shanker, A Grover Scientific reports 7 (1), 872, 2017 | 76 | 2017 |
| Emerging genetic diversity among clinical isolates of SARS-CoV-2: Lessons for today JA Sheikh, J Singh, H Singh, S Jamal, M Khubaib, S Kohli, U Dobrindt, ... Infection, genetics and evolution 84, 104330, 2020 | 75 | 2020 |
| Identification of chebulinic acid as potent natural inhibitor of M. tuberculosis DNA gyrase and molecular insights into its binding mode of action K Patel, C Tyagi, S Goyal, S Jamal, D Wahi, R Jain, N Bharadvaja, ... Computational biology and chemistry 59, 37-47, 2015 | 49 | 2015 |
| Machine learning from molecular dynamics trajectories to predict caspase-8 inhibitors against Alzheimer’s disease S Jamal, A Grover, S Grover Frontiers in pharmacology 10, 780, 2019 | 48 | 2019 |
| Molecular principles behind pyrazinamide resistance due to mutations in panD gene in Mycobacterium tuberculosis B Pandey, S Grover, C Tyagi, S Goyal, S Jamal, A Singh, J Kaur, A Grover Gene 581 (1), 31-42, 2016 | 46 | 2016 |
| Predictive modeling of anti-malarial molecules inhibiting apicoplast formation S Jamal, V Periwal, ... BMC bioinformatics 14, 1-8, 2013 | 45 | 2013 |
| Cheminformatic models based on machine learning for pyruvate kinase inhibitors of Leishmania mexicana S Jamal, V Scaria BMC bioinformatics 14, 1-7, 2013 | 45 | 2013 |
| Computational analysis and predictive modeling of small molecule modulators of microRNA S Jamal, V Periwal, O Consortium, V Scaria Journal of cheminformatics 4, 1-9, 2012 | 44 | 2012 |
| Machine learning: What, why, and how? S Jamal, S Goyal, A Grover, A Shanker Bioinformatics: Sequences, structures, phylogeny, 359-374, 2018 | 39 | 2018 |
| Integrating network, sequence and functional features using machine learning approaches towards identification of novel Alzheimer genes S Jamal, S Goyal, A Shanker, A Grover BMC genomics 17, 1-15, 2016 | 37 | 2016 |
| Structural investigations of T854A mutation in EGFR and identification of novel inhibitors using structure activity relationships S Goyal, S Jamal, A Shanker, A Grover BMC genomics 16, 1-9, 2015 | 36 | 2015 |
| Natural polyphenolic inhibitors against the antiapoptotic BCL-2 S Verma, A Singh, A Kumari, C Tyagi, S Goyal, S Jamal, A Grover Journal of Receptors and Signal Transduction 37 (4), 391-400, 2017 | 35 | 2017 |
| An immunoinformatics approach to design a multi-epitope vaccine against Mycobacterium tuberculosis exploiting secreted exosome proteins R Sharma, VS Rajput, S Jamal, A Grover, S Grover Scientific Reports 11 (1), 13836, 2021 | 34 | 2021 |
| Computational models for the prediction of adverse cardiovascular drug reactions S Jamal, W Ali, P Nagpal, S Grover, A Grover Journal of translational medicine 17, 1-13, 2019 | 34 | 2019 |
| Dynamics of fluoroquinolones induced resistance in DNA gyrase of Mycobacterium tuberculosis B Pandey, S Grover, C Tyagi, S Goyal, S Jamal, A Singh, J Kaur, A Grover Journal of Biomolecular Structure and Dynamics 36 (2), 362-375, 2018 | 30 | 2018 |
| Conformational ensembles of α-synuclein derived peptide with different osmolytes from temperature replica exchange sampling S Jamal, A Kumari, A Singh, S Goyal, A Grover Frontiers in Neuroscience 11, 684, 2017 | 29 | 2017 |
| Fragment based G-QSAR and molecular dynamics based mechanistic simulations into hydroxamic-based HDAC inhibitors against spinocerebellar ataxia S Sinha, C Tyagi, S Goyal, S Jamal, P Somvanshi, A Grover Journal of Biomolecular Structure and Dynamics 34 (10), 2281-2295, 2016 | 28 | 2016 |
