| Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation CN Patel, SP Kumar, HA Pandya, RM Rawal Molecular Diversity 25, 421-433, 2021 | 35 | 2021 |
| Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations CN Patel, SP Jani, DG Jaiswal, SP Kumar, N Mangukia, RM Parmar, ... Scientific Reports 11 (1), 20295, 2021 | 34 | 2021 |
| Design, Synthesis, Biological Evaluation, and Molecular Modeling of Coumarin–P iperazine Derivatives as Acetylcholinesterase Inhibitors RP Modh, SP Kumar, YT Jasrai, KH Chikhalia Archiv der Pharmazie 346 (11), 793-804, 2013 | 34 | 2013 |
| Evolutionary and molecular aspects of Indian tomato leaf curl virus coat protein SP Kumar, SK Patel, RG Kapopara, YT Jasrai, HA Pandya International journal of plant genomics 2012, 2012 | 30 | 2012 |
| Effect of p-sulfonatocalix [4] resorcinarene (PSC [4] R) on the solubility and bioavailability of a poorly water soluble drug lamotrigine (LMN) and computational investigation MB Patel, NN Valand, NR Modi, KV Joshi, U Harikrishnan, SP Kumar, ... RSC advances 3 (36), 15971-15981, 2013 | 24 | 2013 |
| The effect of various atomic partial charge schemes to elucidate consensus activity-correlating molecular regions: a test case of diverse QSAR models SP Kumar, PC Jha, YT Jasrai, HA Pandya Journal of Biomolecular Structure and Dynamics 34 (3), 540-559, 2016 | 23 | 2016 |
| Synthesis and biological evaluation of cationic fullerene quinazolinone conjugates and their binding mode with modeled Mycobacterium tuberculosis hypoxanthine … MB Patel, SP Kumar, NN Valand, YT Jasrai, SK Menon Journal of molecular modeling 19, 3201-3217, 2013 | 23 | 2013 |
| Epitope-based immunoinformatics and molecular docking studies of nucleocapsid protein and ovarian tumor domain of crimean–congo hemorrhagic Fever virus P Srinivasan, SP Kumar, M Karthikeyan, J Jeyakanthan, YT Jasrai, ... Frontiers in Genetics 2, 72, 2011 | 23 | 2011 |
| Cardiotonic steroids as potential Na+/K+-ATPase inhibitors – a computational study CN Patel, SP Kumar, KM Modi, MN Soni, NR Modi, HA Pandya Journal of Receptors and Signal Transduction, 2019 | 21 | 2019 |
| Prioritization of active antimalarials using structural interaction profile of Plasmodium falciparum enoyl-acyl carrier protein reductase (PfENR)-triclosan derivatives SP Kumar, LB George, YT Jasrai, HA Pandya SAR and QSAR in Environmental Research 26 (1), 61-77, 2015 | 20 | 2015 |
| A multiparametric organ toxicity predictor for drug discovery CN Patel, SP Kumar, RM Rawal, DP Patel, FJ Gonzalez, HA Pandya Toxicology Mechanisms and Methods, 2019 | 19 | 2019 |
| Energetic contributions of amino acid residues and its cross‐talk to delineate ligand‐binding mechanism SP Kumar, CN Patel, RM Rawal, HA Pandya Proteins: Structure, Function, and Bioinformatics 88 (9), 1207-1225, 2020 | 18 | 2020 |
| Receptor-guided de novo design of dengue envelope protein inhibitors VH Desai, SP Kumar, HA Pandya, HA Solanki Applied biochemistry and biotechnology 177, 861-878, 2015 | 18 | 2015 |
| Repurposing of anticancer phytochemicals for identifying potential fusion inhibitor for SARS-CoV-2 using molecular docking and molecular dynamics (MD) simulations CN Patel, D Goswami, PK Sivakumar, HA Pandya Journal of Biomolecular Structure and Dynamics 40 (17), 7744-7761, 2022 | 16 | 2022 |
| Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor … SP Kumar, CN Patel, PC Jha, HA Pandya Computational biology and chemistry 71, 117-128, 2017 | 16 | 2017 |
| Compound prioritization from inverse docking experiment using receptor‐centric and ligand‐centric methods: a case study on Plasmodium falciparum Fab enzymes SP Kumar, HA Pandya, VH Desai, YT Jasrai Journal of Molecular Recognition 27 (4), 215-229, 2014 | 16 | 2014 |
| Computational investigation of natural compounds as potential main protease (Mpro) inhibitors for SARS-CoV-2 virus CN Patel, SP Jani, SP Kumar, KM Modi, Y Kumar Computers in Biology and Medicine 151, 106318, 2022 | 15 | 2022 |
| Receptor pharmacophore ensemble (REPHARMBLE): a probabilistic pharmacophore modeling approach using multiple protein-ligand complexes SP Kumar Journal of Molecular Modeling 24 (10), 282, 2018 | 15 | 2018 |
| Exploration of interaction zones of β-tubulin colchicine binding domain of helminths and binding mechanism of anthelmintics P Ranjan, SP Kumar, V Kari, PC Jha Computational Biology and Chemistry 68, 78-91, 2017 | 15 | 2017 |
| Multi-level structure-based pharmacophore modelling of caspase-3-non-peptide complexes: Extracting essential pharmacophore features and its application to virtual screening SP Kumar, PC Jha Chemico-Biological Interactions 254, 207-220, 2016 | 15 | 2016 |
Prof. (Dr). Himanshu A. PandyaDepartment of Botany, Bioinformatics and Climate Change Impacts Management, Gujarat UniversityVerified email at gujaratuniversity.ac.in
