| Remdesivir-bound and ligand-free simulations reveal the probable mechanism of inhibiting the RNA dependent RNA polymerase of severe acute respiratory syndrome coronavirus 2 S Koulgi, V Jani, MVN Uppuladinne, U Sonavane, R Joshi RSC advances 10 (45), 26792-26803, 2020 | 63 | 2020 |
| Drug repurposing studies targeting SARS-CoV-2: an ensemble docking approach on drug target 3C-like protease (3CLpro) S Koulgi, V Jani, M Uppuladinne, U Sonavane, AK Nath, H Darbari, ... Journal of Biomolecular Structure and Dynamics 39 (15), 5735-5755, 2021 | 55 | 2021 |
| Natural plant products as potential inhibitors of RNA dependent RNA polymerase of Severe Acute Respiratory Syndrome Coronavirus-2 S Koulgi, V Jani, M Uppuladinne VN, U Sonavane, R Joshi PLoS One 16 (5), e0251801, 2021 | 32 | 2021 |
| Auto-regulation of Slug mediates its activity during epithelial to mesenchymal transition B Kumar, MVN Uppuladinne, V Jani, U Sonavane, RR Joshi, SA Bapat Biochimica et Biophysica Acta (BBA)-Gene Regulatory Mechanisms 1849 (9 …, 2015 | 19 | 2015 |
| Structural insight into the binding interactions of NTPs and nucleotide analogues to RNA dependent RNA polymerase of SARS-CoV-2 S Koulgi, V Jani, MU VN, U Sonavane, R Joshi Journal of Biomolecular Structure and Dynamics 40 (16), 7230-7244, 2022 | 13 | 2022 |
| Structural insight into antisense gapmer-RNA oligomer duplexes through molecular dynamics simulations MVN Uppuladinne, UB Sonavane, RC Deka, RR Joshi Journal of Biomolecular Structure and Dynamics 37 (11), 2823-2836, 2019 | 11 | 2019 |
| A computational approach to explore Plasmodium falciparum 3D7 chorismate synthase N Arora, U Chari, AK Banerjee, USN Murty Internet J Genomics Proteomics 3 (1), 2007 | 11 | 2007 |
| Quantum chemical studies of novel 2′‐4′ conformationally restricted antisense monomers MVN Uppuladinne, V Jani, UB Sonavane, RR Joshi International Journal of Quantum Chemistry 113 (23), 2523-2533, 2013 | 8 | 2013 |
| Potential of isoquercitrin as antisickling agent: a multi-spectroscopic, thermophoresis and molecular modeling approach MM Syed, PJ Doshi, DD Dhavale, JB Doshi, SL Kate, G Kulkarni, ... Journal of Biomolecular Structure and Dynamics 38 (9), 2717-2736, 2020 | 7 | 2020 |
| An insight into the inhibitory mechanism of phytochemicals and FDA-approved drugs on the ACE2–Spike complex of SARS-CoV-2 using computational methods V Jani, S Koulgi, VNM Uppuladinne, U Sonavane, R Joshi Chemical Papers 75 (9), 4625-4648, 2021 | 6 | 2021 |
| Alizarin interaction with sickle hemoglobin: elucidation of their anti-sickling properties by multi-spectroscopic and molecular modeling techniques MM Syed, PJ Doshi, MV Kulkarni, DD Dhavale, NS Kadam, SL Kate, ... Journal of Biomolecular Structure and Dynamics, 2019 | 6 | 2019 |
| Structural insights into the interactions of xpt riboswitch with novel guanine analogues: a molecular dynamics simulation study SS Jain, UB Sonavane, MVN Uppuladinne, EC McLaughlin, W Wang, ... Journal of Biomolecular Structure and Dynamics 33 (2), 234-243, 2015 | 6 | 2015 |
| Structural insight into locked nucleic acid based novel antisense modifications: A DFT calculations at monomer and MD simulations at oligomer level MVN Uppuladinne, D Dowerah, UB Sonavane, SK Ray, RC Deka, ... Journal of Molecular Graphics and Modelling 107, 107945, 2021 | 5 | 2021 |
| Phytochemicals from AYUSH-64 screened against main protease and spike protein of Omicron variant of SARS-CoV-2 using ensemble docking approach S Koulgi, V Jani, VNM Uppuladinne, U Sonavane, R Joshi, S Thrigulla, ... OSF Preprints 19, 2022 | 4 | 2022 |
| Computational drug repurposing studies on the ACE2-Spike (RBD) interface of SARS-CoV-2 V Jani, S Koulgi, MU VN, U Sonavane, R Joshi | 4 | 2020 |
| TANGO: A high through‐put conformation generation and semiempirical method‐based optimization tool for ligand molecules V Gavane, S Koulgi, V Jani, MVN Uppuladinne, U Sonavane, R Joshi Journal of Computational Chemistry 40 (7), 900-909, 2019 | 4 | 2019 |
| MD simulations of HIV-1 RT primer–template complex: effect of modified nucleosides and antisense PNA oligomer MVN Uppuladinne, UB Sonavane, RR Joshi Journal of Biomolecular Structure and Dynamics 31 (6), 539-560, 2013 | 2 | 2013 |
| Balchaturbhadra Churna as a potential medicine for SARS-CoV2 infection in pediatric setting: An: in silico: study KR Choudhary, SR Thrigulla, MS Gundeti, P Mantena, S Koulgi, V Jani, ... AYU (An International Quarterly Journal of Research in Ayurveda) 43 (4), 146-158, 2022 | 1 | 2022 |
| Turbo Analytics: Applications of Big Data and HPC in Drug Discovery RR Joshi, U Sonavane, V Jani, A Saxena, S Koulgi, M Uppuladinne, ... Structural Bioinformatics: Applications in Preclinical Drug Discovery …, 2019 | 1 | 2019 |
| Unlocking the potential of RNAi as a therapeutic strategy against infectious viruses: an in-silico study MVN Uppuladinne, S Koulgi, V Jani, U Sonavane, R Joshi Chemical Papers 78 (3), 1537-1552, 2024 | | 2024 |
