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Journal of Computational Chemistry|March 31, 2023
All-atom simulations of the trimeric spike protein of SARS-CoV-2 in aqueous medium: Nature of interactions, conformational stability and free energy diagrams for conformational transition of the proteinBhavana Panthi, Saheb Dutta, Amalendu ChandraThe Journal of Physical Chemistry. B|July 14, 2022
All-Atom Simulations of Human ACE2-Spike Protein RBD Complexes for SARS-CoV-2 and Some of its Variants: Nature of Interactions and Free Energy Diagrams for Dissociation of the Protein ComplexesSaheb Dutta, Bhavana Panthi, Amalendu ChandraJournal of Biomolecular Structure & Dynamics|February 3, 2023
Analogue and structure based approaches for modelling HIV-1 integrase inhibitorsAnurag Upadhyaya, Bhavana Panthi, Shubham Verma, et al.Oncotargets and Therapy|May 25, 2016
Lead identification for the K-Ras protein: virtual screening and combinatorial fragment-based approachesAkbar Ali Khan Pathan, Bhavana Panthi, Zahid Khan, et al.Antimicrobial Agents and Chemotherapy|May 3, 2017
In Vitro Evaluation of Antileishmanial Activity of Computationally Screened Compounds against Ascorbate Peroxidase To Combat Amphotericin B Drug ResistanceRani Mansuri, Ashish Kumar, Sindhuprava Rana, et al.Pageof 1