| Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against COVID-19 C Selvaraj, DC Dinesh, U Panwar, R Abhirami, E Boura, SK Singh Journal of Biomolecular Structure and Dynamics 39 (13), 4582-4593, 2021 | 92 | 2021 |
| Structure-based virtual screening toward the discovery of novel inhibitors for impeding the protein-protein interaction between HIV-1 integrase and human lens epithelium … U Panwar, SK Singh Journal of Biomolecular Structure and Dynamics 36 (12), 3199-3217, 2018 | 44 | 2018 |
| Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease C Selvaraj, U Panwar, DC Dinesh, E Boura, P Singh, VK Dubey, SK Singh Frontiers in Chemistry 8, 1179, 2021 | 42 | 2021 |
| Atom-based 3D-QSAR, molecular docking, DFT, and simulation studies of acylhydrazone, hydrazine, and diazene derivatives as IN-LEDGF/p75 inhibitors U Panwar, SK Singh Structural Chemistry 32, 337-352, 2021 | 40 | 2021 |
| An in silico approach to identify high affinity small molecule targeting m-TOR inhibitors for the clinical treatment of breast cancer K Patidar, U Panwar, S Vuree, J Sweta, MK Sandhu, A Nayarisseri, ... Asian Pacific journal of cancer prevention: APJCP 20 (4), 1229, 2019 | 40 | 2019 |
| Shape-based Machine Learning Models for the Potential Novel COVID-19 Protease Inhibitors Assisted by Molecular Dynamics Simulation R Khandelwal, A Nayarisseri, M Madhavi, C Selvaraj, U Panwar, ... Current topics in medicinal chemistry, 2020 | 37 | 2020 |
| Advantages of Structure-Based Drug Design Approaches in Neurological Disorders. SKS Murali Aarthy, Umesh Panwar, Chandrabose Selvaraj Current Neuropharmacology 15, 2017 | 32 | 2017 |
| In silico virtual screening of potent inhibitor to hamper the interaction between HIV-1 integrase and LEDGF/p75 interaction using E-pharmacophore modeling, molecular docking … U Panwar, SK Singh Computational Biology and Chemistry 93, 107509, 2021 | 19 | 2021 |
| High-Throughput Screening and Quantum Mechanics for Identifying Potent Inhibitors against Mac1 Domain of SARS-CoV-2 Nsp3 C Selvaraj, DC Dinesh, U Panwar, E Boura, SK Singh IEEE/ACM Transactions on Computational Biology and Bioinformatics, 2021 | 18 | 2021 |
| An Overview on Zika Virus and the Importance of Computational Drug Discovery U Panwar, SK Singh Journal of Exploratory Research in Pharmacology 3 ((2)), 43-51, 2018 | 17 | 2018 |
| Current Computational Approaches for the Development of Anti-HIV Inhibitors: An Overview U Panwar, I Chandra, C Selvaraj, SK Singh Current pharmaceutical design 25 (31), 3390-3405, 2019 | 16 | 2019 |
| Structural dynamic studies on identification of EGCG analogues for the inhibition of Human Papillomavirus E7 M Aarthy, U Panwar, SK Singh Scientific reports 10 (1), 8661, 2020 | 15 | 2020 |
| Identification of Novel Pancreatic Lipase Inhibitors Using In Silico Studies U Panwar, SK Singh Endocrine, metabolic & immune disorders drug targets, 2018 | 15 | 2018 |
| De Novo Design of Ligands Using Computational Methods. SKS V Suryanarayanan, U Panwar, I Chandra Computational Drug Discovery and Design 1762, 71-86, 2018 | 14 | 2018 |
| Structure-based virtual screening, molecular docking, molecular dynamics simulation of EGFR for the clinical treatment of glioblastoma A Bhrdwaj, M Abdalla, A Pande, M Madhavi, I Chopra, L Soni, ... Applied Biochemistry and Biotechnology 195 (8), 5094-5119, 2023 | 12 | 2023 |
| Exploring the macromolecules for secretory pathway in cancer disease C Selvaraj, U Panwar, KR Ramalingam, R Vijayakumar, SK Singh Advances in Protein Chemistry and Structural Biology 133, 55-83, 2023 | 5 | 2023 |
| Virtual Screening Process: A Guide in Modern Drug Designing U Panwar, A Murali, MA Khan, C Selvaraj, SK Singh Computational Drug Discovery and Design, 21-31, 2023 | 2 | 2023 |
| Structural insights into conformational stability of ESR1 and structure base screening of new potent inhibitor for the treatment of Breast Cancer I Chopra, U Panwar, A Bhrdwaj, M Madhavi, L Soni, K Sharma, ... | 2 | 2022 |
| Magnitude and Advancements of CADD in Identifying Therapeutic Intervention against Flaviviruses M Aarthy, U Panwar, SK Singh Innovations and Implementations of Computer Aided Drug Discovery Strategies …, 2021 | 2 | 2021 |
| Bacteriophage as a Therapeutic Agent to Combat Bacterial Infection: A Journey from History to Application U Panwar, M Aarthy, SK Singh Biocommunication of Phages, 347-370, 2020 | 2 | 2020 |
Dr. Sanjeev Kumar SinghProfessor, Department of Bioinformatics, Alagappa University, Karaikudi-630004Verified email at sanjeevslab.org
