Arup K. Pathak
Mumbai, MH 400094, India
Last Updated: 09/26/2026
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Found 24 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
Structure-Activity Relationship of Ciprofloxacin towards S-Spike Protein of SARS-CoV-2: Synthesis and In-Silico Evaluation.
Journal: Journal of chemical information and modeling
Published: January 13, 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
Experimental and theoretical validation for transmutation of palladium at electrochemical interfaces.
Journal: Scientific reports
Published: March 19, 2024
Linkage Isomers of Triangular Pd Metallacycles and Catalysis in Aqueous Suzuki Coupling Reaction.
Journal: Inorganic chemistry
Published: January 03, 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
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
Temperature Induced Dynamical Transition of Biomolecules in Polarizable and Nonpolarizable TIP3P Water.
Journal: Journal of chemical theory and computation
Published: March 09, 2019
Xantphos-Capped Pd(II) and Pt(II) Macrocycles of Aryldithiolates: Structural Variation and Catalysis in C-C Coupling Reaction.
Journal: Inorganic chemistry
Published: February 12, 2019
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