| Targeting SARS-CoV-2: A systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase RJ Khan, RK Jha, GM Amera, M Jain, E Singh, A Pathak, RP Singh, ... Journal of Biomolecular Structure and Dynamics 39 (8), 2679-2692, 2021 | 330 | 2021 |
| A comprehensive review on promising anti-viral therapeutic candidates identified against main protease from SARS-CoV-2 through various computational methods E Singh, RJ Khan, RK Jha, GM Amera, M Jain, RP Singh, ... Journal of Genetic Engineering and Biotechnology 18 (1), 69, 2020 | 48 | 2020 |
| Identification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an in silico assisted drug-repurposing study RJ Khan, RK Jha, E Singh, M Jain, GM Amera, RP Singh, ... Journal of Biomolecular Structure and Dynamics 40 (1), 438-448, 2022 | 31 | 2022 |
| Screening of promising molecules against MurG as drug target in multi-drug-resistant-Acinetobacter baumannii - insights from comparative protein modeling … GM Amera, RJ Khan, A Pathak, RK Jha, J Muthukumaran, AK Singh Journal of Biomolecular Structure and Dynamics 38 (17), 5230-5252, 2020 | 19 | 2020 |
| Structure based in-silico study on UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2, 6-diaminopimelate ligase (MurE) from Acinetobacter baumannii as a drug target against nosocomial … GM Amera, RJ Khan, A Pathak, A Kumar, AK Singh Informatics in Medicine Unlocked 16, 100216, 2019 | 17 | 2019 |
| Structure based drug designing and discovery of promising lead molecules against UDP-N-acetylenolpyruvoylglucosamine reductase (MurB): A potential drug target in multi-drug … GM Amera, RJ Khan, A Pathak, RK Jha, M Jain, J Muthukumaran, ... Journal of Molecular Graphics and Modelling 100, 107675, 2020 | 13 | 2020 |
| Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular … RK Jha, RJ Khan, GM Amera, E Singh, A Pathak, M Jain, J Muthukumaran, ... Journal of Molecular Modeling 26, 1-17, 2020 | 12 | 2020 |
| Computer aided ligand based screening for identification of promising molecules against enzymes involved in peptidoglycan biosynthetic pathway from Acinetobacter baumannii GM Amera, RJ Khan, A Pathak, RK Jha, J Muthukumaran, AK Singh Microbial pathogenesis 147, 104205, 2020 | 12 | 2020 |
| Prioritization of Mur family drug targets against A. baumannii and identification of their homologous proteins through molecular phylogeny, primary sequence, and structural … GM Amera, RJ Khan, RK Jha, A Pathak, J Muthukumaran, AK Singh Journal of Genetic Engineering and Biotechnology 18 (1), 33, 2020 | 9 | 2020 |
| Identifying the natural compound Catechin from tropical mangrove plants as a potential lead candidate against 3CLpro from SARS-CoV-2: An integrated in silico approach RK Jha, RJ Khan, A Parthiban, E Singh, M Jain, GM Amera, RP Singh, ... Journal of Biomolecular Structure and Dynamics 40 (24), 13392-13411, 2022 | 8 | 2022 |
| An extensive computational study to identify potential inhibitors of Acyl-homoserine-lactone synthase from Acinetobacter baumannii (strain AYE) RK Jha, RJ Khan, E Singh, A Kumar, M Jain, J Muthukumaran, AK Singh Journal of Molecular Graphics and Modelling 114, 108168, 2022 | 8 | 2022 |
| A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2 E Singh, RK Jha, RJ Khan, A Kumar, M Jain, J Muthukumaran, AK Singh Computational Biology and Chemistry 99, 107721, 2022 | 6 | 2022 |
| Targeting multi-drug-resistant Acinetobacter baumannii: a structure-based approach to identify the promising lead candidates against glutamate racemase A Kumar, E Singh, RK Jha, RJ Khan, M Jain, S Varshney, ... Journal of Molecular Modeling 29 (6), 188, 2023 | 3 | 2023 |
| Identification and prioritization of potential therapeutic molecules against LpxA from Acinetobacter baumannii–A computational study RJ Khan, E Singh, RK Jha, A Kumar, SK Bhati, MP Zia, M Jain, RP Singh, ... Current Research in Structural Biology 5, 100096, 2023 | 3 | 2023 |
| Targeting novel coronavirus 2019: A systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 20-O-ribose methyltransferase RJ Khan, R Jha, GM Amera, M Jain, E Singh, A Pathak, AK Singh, ... Journal of Biomolecular Structure & Dynamics, 1-14, 2020 | 3 | 2020 |
| Ligand-based approaches for the development of drugs against SARS-CoV-2 E Singh, RJ Khan, RK Jha, GM Amera, M Jain, RP Singh, ... In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and …, 2021 | 2 | 2021 |
| Computational drug repurposing for the development of drugs against coronaviruses E Singh, RJ Khan, RK Jha, GM Amera, M Jain, RP Singh, ... In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and …, 2021 | 1 | 2021 |
| Droperidol as a potential inhibitor of acyl-homoserine lactone synthase from A. baumannii: insights from virtual screening, MD simulations and MM/PBSA calculations RK Jha, E Singh, RJ Khan, A Kumar, M Jain, J Muthukumaran, AK Singh Molecular Diversity 27 (5), 1979-1999, 2023 | | 2023 |
| Introduction to Protein Therapeutics M Jain, A Kumar, RJ Khan, RK Jha, E Singh, J Muthukumaran, AK Singh Protein-based Therapeutics, 1-22, 2023 | | 2023 |
| A Comprehensive In Silico Study Towards Understanding the Inhibitory Mechanism of Lactoperoxidase by Dapsone and Propofol RJ Khan, RK Jha, GM Amera, J Muthukumaran, RP Singh, AK Singh Current Computer-Aided Drug Design 17 (4), 550-559, 2021 | | 2021 |
Amit Kumar SinghSharda UniversityVerified email at sharda.ac.in
