| Computational simulations identified marine-derived natural bioactive compounds as replication inhibitors of SARS-CoV-2 V Kumar, S Parate, S Yoon, G Lee, KW Lee Frontiers in microbiology 12, 647295, 2021 | 30 | 2021 |
| Discovery of lonafarnib-like compounds: pharmacophore modeling and molecular dynamics studies S Rampogu, A Baek, M Son, C Park, S Yoon, S Parate, KW Lee ACS omega 5 (4), 1773-1781, 2020 | 28 | 2020 |
| Natural compounds as potential Hsp90 inhibitors for breast cancer-Pharmacophore guided molecular modelling studies S Rampogu, S Parate, S Parameswaran, C Park, A Baek, M Son, Y Park, ... Computational Biology and Chemistry 83, 107113, 2019 | 26 | 2019 |
| Identification of ACK1 inhibitors as anticancer agents by using computer-aided drug designing V Kumar, R Kumar, S Parate, S Yoon, G Lee, D Kim, KW Lee Journal of Molecular Structure 1235, 130200, 2021 | 22 | 2021 |
| Marine-derived natural products as ATP-competitive mTOR kinase inhibitors for cancer therapeutics S Parate, V Kumar, G Lee, S Rampogu, JC Hong, KW Lee Pharmaceuticals 14 (3), 282, 2021 | 21 | 2021 |
| Identification of new KRAS G12D inhibitors through computer-aided drug discovery methods AM Kulkarni, V Kumar, S Parate, G Lee, S Yoon, KW Lee International Journal of Molecular Sciences 23 (3), 1309, 2022 | 20 | 2022 |
| Identification of CDK7 inhibitors from natural sources using pharmacoinformatics and molecular dynamics simulations V Kumar, S Parate, G Thakur, G Lee, HS Ro, Y Kim, HJ Kim, MO Kim, ... Biomedicines 9 (9), 1197, 2021 | 20 | 2021 |
| In silico study identified methotrexate analog as potential inhibitor of drug resistant human dihydrofolate reductase for cancer therapeutics RM Rana, S Rampogu, NB Abid, A Zeb, S Parate, G Lee, S Yoon, Y Kim, ... Molecules 25 (15), 3510, 2020 | 17 | 2020 |
| Pharmacotherapeutics and Molecular Mechanism of Phytochemicals in Alleviating Hormone‐Responsive Breast Cancer S Rampogu, C Park, D Ravinder, M Son, A Baek, A Zeb, R Bavi, R Kumar, ... Oxidative Medicine and Cellular Longevity 2019 (1), 5189490, 2019 | 17 | 2019 |
| Discovery of small molecules that target vascular endothelial growth factor receptor-2 signalling pathway employing molecular modelling studies S Rampogu, A Baek, C Park, M Son, S Parate, S Parameswaran, Y Park, ... Cells 8 (3), 269, 2019 | 16 | 2019 |
| Insilico drug repurposing using FDA approved drugs against Membrane protein of SARS-CoV-2 KA Peele, V Kumar, S Parate, K Srirama, KW Lee, TC Venkateswarulu Journal of Pharmaceutical Sciences 110 (6), 2346-2354, 2021 | 13 | 2021 |
| Exploring the binding interaction of Raf kinase inhibitory protein with the N-terminal of C-Raf through molecular docking and molecular dynamics simulation S Parate, S Rampogu, G Lee, JC Hong, KW Lee Frontiers in Molecular Biosciences 8, 655035, 2021 | 13 | 2021 |
| Computational investigation identified potential chemical scaffolds for heparanase as anticancer therapeutics S Parate, V Kumar, JC Hong, KW Lee International journal of molecular sciences 22 (10), 5311, 2021 | 13 | 2021 |
| Investigation of novel chemical scaffolds targeting prolyl oligopeptidase for neurological therapeutics R Kumar, S Parameswaran, R Bavi, A Baek, M Son, S Rampogu, C Park, ... Journal of Molecular Graphics and Modelling 88, 92-103, 2019 | 13 | 2019 |
| Investigating natural compounds against oncogenic RET tyrosine kinase using pharmacoinformatic approaches for cancer therapeutics S Parate, V Kumar, JC Hong, KW Lee RSC advances 12 (2), 1194-1207, 2022 | 11 | 2022 |
| Computational simulations identify pyrrolidine-2, 3-dione derivatives as novel inhibitors of Cdk5/p25 complex to attenuate Alzheimer’s pathology A Zeb, D Kim, SI Alam, M Son, R Kumar, S Rampogu, S Parameswaran, ... Journal of Clinical Medicine 8 (5), 746, 2019 | 10 | 2019 |
| 3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Dynamics Simulations for the Identification of Spleen Tyrosine Kinase Inhibitors V Kumar, S Parate Front. Cell. Infect. Microbiol. 12: 909111. doi: 10.3389/fcimb, 2022 | 9 | 2022 |
| Discovery of Anticancer Hybrid Molecules by Supervised Machine Learning Models and in Vitro Validation in Drug Resistant Chronic Myeloid Leukemia Cells AR Melge, S Parate, K Pavithran, M Koyakutty, CG Mohan Journal of Chemical Information and Modeling 62 (4), 1126-1146, 2022 | 8 | 2022 |
| Investigation of marine-derived natural products as Raf kinase inhibitory protein (RKIP)-binding ligands S Parate, V Kumar, JC Hong, KW Lee Marine Drugs 19 (10), 581, 2021 | 7 | 2021 |
| Identification of flavonoids as putative ROS-1 kinase inhibitors using pharmacophore modeling for NSCLC therapeutics S Parate, V Kumar, JC Hong, KW Lee Molecules 26 (8), 2114, 2021 | 7 | 2021 |
Keun Woo Lee Ph.D.CTO of KQC(Korea Quantum Computing) & Prof. of GNU在 kqchub.com 的电子邮件经过验证
