0000-0002-5915-8609 Employment
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Sacred Heart College Associate Professor
Education
Education history is unavailable.
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Publications (19)
- Structure-based Free Energy Evaluation of Papaya Flavonoids as Dengue Virus NS5 RdRp Inhibitors via Molecular Simulations, Steered Molecular Dynamics, and Umbrella Sampling Save
- Mechanistic insights into the radical scavenging activity and Keap1 Nrf2 inhibition potential of selected avenanthramides using DFT and molecular dynamics studies Save
- Unbinding pathways and energetics of papaya-derived flavonoids as dengue MTase inhibitors via SMD-US and MMGBSA methods Save
- Thermodynamic and structural insights into full-length amyloid-β42 dimerization using enhanced sampling and MD-based techniques Save
- Naringenin and its structural analogues inhibit CDK2: a combined MD-MMGBSA and protein–ligand interaction study for colon cancer Save
- A Multitargeted Approach to Breast Cancer Therapy: Exploring the Therapeutic Potential of Afzelin as a Combination Agent with FDA-Approved Breast Cancer Drugs Save
- Correction to “Design and Synthesis of Ketenimine Sulfonamide Conjugates through Multicomponent Reactions; A Combined Cytotoxic Analysis and Computational Exploration” Save
- Design and Synthesis of Ketenimine Sulfonamide Conjugates through Multicomponent Reactions; A Combined Cytotoxic Analysis and Computational Exploration Save
- Identification of some dietary flavonoids as potential inhibitors of TMPRSS2 through protein–ligand interaction studies and binding free energy calculations Save
- Targeting COVID-19 pandemic: in silico evaluation of 2-hydroxy-1, 2-diphenylethanone N(4)-methyl-N(4)-phenylthiosemicarbazone as a potential inhibitor of SARS-CoV-2 Save