Tusar Bandyopadhyay

Publication Activity (10 Years)

Years Active: 2018-2021
Publications (10 Years): 9

Top Topics

Molecular Dynamics Simulations

Top Venues

The journal of physical chemistry. B

Journal of biomolecular structure & dynamics

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Arup Kumar Pathak, Tusar Bandyopadhyay
Heat-induced transitions of an empty minute virus of mice capsid in explicit water: all-atom MD simulation. Journal of biomolecular structure & dynamics (2021)
Lokpati Mishra, Mahesh Sundararajan, Tusar Bandyopadhyay
MD simulation reveals differential binding of Cm(III) and Th(IV) with serum transferrin at acidic pH. Proteins 89 (2) (2020)
Lokpati Mishra, Mahesh Sundararajan, Tusar Bandyopadhyay
Molecular dynamics simulations of plutonium binding and its decorporation from the binding-cleft of human serum transferrin. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 25 (2) (2020)
Arup Kumar Pathak, Tusar Bandyopadhyay
Temperature Induced Dynamical Transition of Biomolecules in Polarizable and Nonpolarizable TIP3P Water. Journal of chemical theory and computation 15 (4) (2019)
Kalyanashis Jana, Padmaja D Wakchaure, Shibaji Ghosh, Tusar Bandyopadhyay, Bishwajit Ganguly
Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq1 riboswitch. Journal of biomolecular structure & dynamics 38 (15) (2019)
Lokpati Mishra, Pramilla Damodar Sawant, Mahesh Sundararajan, Tusar Bandyopadhyay
Binding of Cm(III) and Th(IV) with Human Transferrin at Serum pH: Combined QM and MD Investigations. The journal of physical chemistry. B 123 (13) (2019)
Arup Kumar Pathak, Tusar Bandyopadhyay
Dynamic Mechanism of a Fluorinated Oxime Reactivator Unbinding from AChE Gorge in Polarizable Water. The journal of physical chemistry. B 122 (14) (2018)
Arup Kumar Pathak, Tusar Bandyopadhyay
Unbinding of fluorinated oxime drug from the AChE gorge in polarizable water: a well-tempered metadynamics study. Physical chemistry chemical physics : PCCP 19 (7) (2018)
Kalyanashis Jana, Tusar Bandyopadhyay, Bishwajit Ganguly
Stereoselective Metabolism of Omeprazole by Cytochrome P450 2C19 and 3A4: Mechanistic Insights from DFT Study. The journal of physical chemistry. B 122 (22) (2018)