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Journal of Chemical Information and Modeling|May 7, 2025
Refining the Trapping of Therapeutic Agent Silybin A in Functionalized β- and γ-Cyclodextrin Cavitands for Improved Supramolecular ComplexationPramod Kumar, Rituraj PurohitCarbohydrate Polymers|July 24, 2024
Driving forces and large scale affinity calculations for piperine/γ-cyclodxetrin complexes: Mechanistic insights from umbrella sampling simulation and DFT calculationsPramod Kumar, Rituraj PurohitInternational Journal of Biological Macromolecules|December 10, 2024
MDbDMRP: A novel molecular descriptor-based computational model to identify drug-miRNA relationshipsAmit Daroch, Rituraj PurohitCarbohydrate Polymers|March 16, 2023
A comparative study on inclusion complex formation between formononetin and β-cyclodextrin derivatives through multiscale classical and umbrella sampling simulationsVijay Kumar Bhardwaj, Rituraj PurohitJournal of Cellular Biochemistry|April 29, 2022
A lesson for the maestro of the replication fork: Targeting the protein-binding interface of proliferating cell nuclear antigen for anticancer therapyVijay Kumar Bhardwaj, Rituraj PurohitInternational Journal of Biological Macromolecules|January 26, 2020
A new insight into protein-protein interactions and the effect of conformational alterations in PCNAVijay Kumar Bhardwaj, Rituraj PurohitJournal of Biomolecular Structure & Dynamics|May 26, 2020
Targeting the protein-protein interface pocket of Aurora-A-TPX2 complex: rational drug design and validationVijay Kumar Bhardwaj, Rituraj PurohitGenomics|May 1, 2020
Structural changes induced by substitution of amino acid 129 in the coat protein of Cucumber mosaic virusVijay Kumar Bhardwaj, Rituraj PurohitJournal of Biomolecular Structure & Dynamics|January 7, 2020
Identification of a novel binding mechanism of Quinoline based molecules with lactate dehydrogenase of Plasmodium falciparumRahul Singh, Vijay Bhardwaj, Rituraj PurohitAmino Acids|October 13, 2011
In silico investigation of molecular mechanism of laminopathy caused by a point mutation (R482W) in lamin A/C proteinVidya Rajendran, Rituraj Purohit, Rao SethumadhavanPageof 13