Tusar Bandyopadhyay
Mumbai, MH 400094, India
Last Updated: 09/26/2026
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Found 26 publications
Tuning the lanthanide binding tags for preferential actinide chelation: an all atom molecular dynamics study.
Journal: Physical chemistry chemical physics : PCCP
Published: January 27, 2025
Fatty acid influence on zinc and uranyl ion binding to human serum albumin: an all atoms molecular dynamics investigation.
Journal: Journal of biomolecular structure & dynamics
Published: November 26, 2024
Binding of human serum albumin with uranyl ion at various pH: an all atom molecular dynamics study.
Journal: Journal of biomolecular structure & dynamics
Published: September 13, 2022
Unbinding of hACE2 and inhibitors from the receptor binding domain of SARS-CoV-2 spike protein.
Journal: Journal of biomolecular structure & dynamics
Published: March 16, 2022
Heat-induced transitions of an empty minute virus of mice capsid in explicit water: all-atom MD simulation.
Journal: Journal of biomolecular structure & dynamics
Published: August 30, 2021
Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq1 riboswitch.
Journal: Journal of biomolecular structure & dynamics
Published: October 22, 2019
Molecular dynamics simulations of plutonium binding and its decorporation from the binding-cleft of human serum transferrin.
Journal: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
Published: August 28, 2019
Binding of Cm(III) and Th(IV) with Human Transferrin at Serum pH: Combined QM and MD Investigations.
Binding of Cm(III) and Th(IV) with Human Transferrin at Serum pH: Combined QM and MD Investigations.
Journal: The journal of physical chemistry. B
Published: March 14, 2019
Temperature Induced Dynamical Transition of Biomolecules in Polarizable and Nonpolarizable TIP3P Water.
Journal: Journal of chemical theory and computation
Published: March 09, 2019
Stereoselective Metabolism of Omeprazole by Cytochrome P450 2C19 and 3A4: Mechanistic Insights from DFT Study.
Journal: The journal of physical chemistry. B
Published: May 10, 2018
Dynamic Mechanism of a Fluorinated Oxime Reactivator Unbinding from AChE Gorge in Polarizable Water.
Dynamic Mechanism of a Fluorinated Oxime Reactivator Unbinding from AChE Gorge in Polarizable Water.
Journal: The journal of physical chemistry. B
Published: March 20, 2018
Last Updated: 09/26/2026