0000-0003-3563-6642 Employment
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Publications (11)
- Synergizing GA-XGBoost and QSAR modeling: Breaking down activity cliffs in HDAC1 inhibitors Save
- Computational Exploration of Naturally Occurring Flavonoids as TGF‐β Inhibitors in Breast Cancer: Insights from Docking and Molecular Dynamics Simulations and In‐vitro Cytotoxicity Study Save
- In silico study to recognize novel angiotensin-converting-enzyme-I inhibitors by 2D-QSAR and constraint-based molecular simulations Save
- Chemical Composition of Piper nigrum L. Cultivar Guajarina Essential Oils and Their Biological Activity Save
- Theoretical and Anti-Klebsiella pneumoniae Evaluations of Substituted 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide and Imidazopyridine Hydrazide Derivatives Save
- QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads Save
- QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA Save
- Perceiving the Concealed and Unreported Pharmacophoric Features of the 5-Hydroxytryptamine Receptor Using Balanced QSAR Analysis Save
- Mechanistic Analysis of Chemically Diverse Bromodomain-4 Inhibitors Using Balanced QSAR Analysis and Supported by X-ray Resolved Crystal Structures Save
- QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CLpro Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches Save