| Molecular Dynamics Simulation of Protein and Protein–Ligand Complexes R Shukla, T Tripathi Computer-Aided Drug Design, 133-161, 2020 | 78 | 2020 |
| Structure-based screening and molecular dynamics simulations offer novel natural compounds as potential inhibitors of Mycobacterium tuberculosis isocitrate lyase R Shukla, H Shukla, A Sonkar, T Pandey, T Tripathi Journal of Biomolecular Structure and Dynamics 36 (8), 2045-2057, 2018 | 71 | 2018 |
| High-throughput rational design of the remdesivir binding site in the RdRp of SARS-CoV-2: implications for potential resistance AK Padhi, R Shukla, P Saudagar, T Tripathi Iscience 24 (1), 2021 | 65 | 2021 |
| Distant Phe345 mutation compromises the stability and activity of Mycobacterium tuberculosis isocitrate lyase by modulating its structural flexibility H Shukla, R Shukla, A Sonkar, T Pandey, T Tripathi Scientific reports 7 (1), 1058, 2017 | 63 | 2017 |
| Identification of new drug-like compounds from millets as Xanthine oxidoreductase inhibitors for treatment of Hyperuricemia: A molecular docking and simulation study RK Pathak, A Gupta, R Shukla, M Baunthiyal Computational biology and chemistry 76, 32-41, 2018 | 60 | 2018 |
| Virtual Screening, Pharmacokinetics, Molecular dynamics and binding free energy analysis for small natural molecules against Cyclin-dependent kinase 5 for Alzheimer's disease. R Shukla, TR Singh Journal of biomolecular structure & dynamics, 1-22, 2019 | 56 | 2019 |
| Identification of potential inhibitors of Fasciola gigantica thioredoxin1: computational screening, molecular dynamics simulation, and binding free energy studies R Shukla, H Shukla, P Kalita, A Sonkar, T Pandey, DB Singh, A Kumar, ... Journal of Biomolecular Structure and Dynamics 36 (8), 2147-2162, 2018 | 52 | 2018 |
| Alterations in conformational topology and interaction dynamics caused by L418A mutation leads to activity loss of Mycobacterium tuberculosis isocitrate lyase H Shukla, R Shukla, A Sonkar, T Tripathi Biochemical and biophysical research communications 490 (2), 276-282, 2017 | 49 | 2017 |
| In silico identification of mimicking molecules as defense inducers triggering jasmonic acid mediated immunity against alternaria blight disease in brassica species RK Pathak, M Baunthiyal, R Shukla, D Pandey, G Taj, A Kumar Frontiers in plant science 8, 609, 2017 | 49 | 2017 |
| Exploring medicinal plant legacy for drug discovery in post-genomic era S Singh, DB Singh, S Singh, R Shukla, PW Ramteke, K Misra Proceedings of the National Academy of Sciences, India Section B: Biological …, 2019 | 48 | 2019 |
| Structural insights into natural compounds as inhibitors of Fasciola gigantica thioredoxin glutathione reductase R Shukla, H Shukla, P Kalita, T Tripathi Journal of cellular biochemistry 119 (4), 3067-3080, 2018 | 45 | 2018 |
| Molecular Dynamics Simulation in Drug Discovery: Opportunities and Challenges R Shukla, T Tripathi Innovations and Implementations of Computer Aided Drug Discovery Strategies …, 2021 | 44 | 2021 |
| Identification of novel small molecules against GSK3β for Alzheimer's disease using chemoinformatics approach R Shukla, NS Munjal, TR Singh Journal of Molecular Graphics and Modelling, 2019 | 42 | 2019 |
| Identification of novel natural inhibitors of Opisthorchis felineus cytochrome P450 using structure-based screening and molecular dynamic simulation R Shukla, PB Chetri, A Sonkar, MY Pakharukova, VA Mordvinov, ... Journal of Biomolecular Structure and Dynamics 36 (13), 3541-3556, 2018 | 37 | 2018 |
| UDP-N-Acetylglucosamine enolpyruvyl transferase (MurA) of Acinetobacter baumannii (AbMurA): Structural and functional properties A Sonkar, H Shukla, R Shukla, J Kalita, T Pandey, T Tripathi International journal of biological macromolecules 97, 106-114, 2017 | 37 | 2017 |
| A combined biochemical and computational studies of the rho-class glutathione s-transferase sll1545 of Synechocystis PCC 6803 T Pandey, R Shukla, H Shukla, A Sonkar, T Tripathi, AK Singh International Journal of Biological Macromolecules 94, 378-385, 2017 | 36 | 2017 |
| Activity loss by H46 mutation in Mycobacterium tuberculosis isocitrate lyase is due to decrease in structural plasticity and collective motions of the active site R Shukla, H Shukla, T Tripathi Tuberculosis, 2017 | 32 | 2017 |
| Structural and energetic understanding of novel natural inhibitors of Mycobacterium tuberculosis malate synthase R Shukla, H Shukla, T Tripathi Journal of cellular biochemistry 120 (2), 2469-2482, 2019 | 31 | 2019 |
| Draft Genome of the Liver Fluke Fasciola gigantica T Pandey, A Ghosh, VN Todur, V Rajendran, P Kalita, J Kalita, R Shukla, ... ACS omega 5 (19), 11084-11091, 2020 | 30 | 2020 |
| Comprehensive analysis of the catalytic and structural properties of a mu-class glutathione s-transferase from Fasciola gigantica J Kalita, R Shukla, H Shukla, K Gadhave, R Giri, T Tripathi Scientific reports 7 (1), 17547, 2017 | 24 | 2017 |
Timir TripathiProfessorVerified email at nehu.ac.in
