| 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 | 337 | 2021 |
| 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 | 20 | 2020 |
| Symmetric nucleosides as potent purine nucleoside phosphorylase inhibitors P Pant, A Pathak, B Jayaram The Journal of Physical Chemistry B 125 (11), 2856-2862, 2021 | 14 | 2021 |
| Symmetrization of the backbone of nucleic acids: a molecular dynamics study P Pant, A Pathak, B Jayaram Journal of Biomolecular Structure and Dynamics, 2019 | 14 | 2019 |
| 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 | 13 | 2020 |
| 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 |
| 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), 1-22, 2020 | 10 | 2020 |
| Bicyclo-DNA mimics with enhanced protein binding affinities: insights from molecular dynamics simulations P Pant, A Pathak, B Jayaram Journal of Biomolecular Structure and Dynamics 41 (9), 4040-4047, 2023 | 4 | 2023 |
| Seq2Enz: An application of mask BLAST methodology with a new chemical logic of amino acids for improved enzyme function prediction A Pathak, B Jayaram Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1870 (1), 140721, 2022 | 3 | 2022 |
| Mask blast with a new chemical logic of amino acids for improved protein function prediction A Pathak, T Roy, A Edubilli, B Jayaram Proteins: Structure, Function, and Bioinformatics 89 (8), 922-924, 2021 | 2 | 2021 |
| Molecular Simulation–Driven Drug Repurposing for the Identification of Inhibitors Against Non-Structural Proteins of SARS-CoV-2 A Pathak, B Singh, DK Chaurasia, B Jayaram In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and …, 2021 | 2 | 2021 |
| Development of a Web-Server for Identification of Common Lead Molecules for Multiple Protein Targets A Jayaraj, R Bhat, A Pathak, M Singh, B Jayaram Multi-Target Drug Design Using Chem-Bioinformatic Approaches, 487-504, 2019 | 2 | 2019 |
| A New Classification of Amino Acids and Newer Methodology for Protein Function Prediction A Pathak, B Jayaram Biophysical Journal 120 (3), 268a, 2021 | | 2021 |
