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Journal of Chemical Information and Modeling|July 21, 2026
Mapping the Glycan Recognition Landscape of Galectin-3 through Enhanced Sampling SimulationsSubhasmita Mahapatra, Suman SinhaPhysical Chemistry Chemical Physics : PCCP|February 25, 2026
Allosteric activation of FGFR2 kinase in endometrial cancer: insights from Gaussian accelerated molecular dynamics and the Markov state modelSubhasmita Mahapatra, Parimal KarPhysical Chemistry Chemical Physics : PCCP|April 30, 2025
Identification and characterization of binding thermodynamics and kinetics of inhibitors targeting FGFR1 via molecular modelling and ligand Gaussian accelerated molecular dynamics simulationsSubhasmita Mahapatra, Parimal KarArchives of Biochemistry and Biophysics|June 23, 2024
Computational biophysical characterization of the effect of gatekeeper mutations on the binding of ponatinib to the FGFR kinaseSubhasmita Mahapatra, Parimal KarJournal of Applied Microbiology|February 9, 2022
Bacillus subtilis impact on plant growth, soil health and environment: Dr. Jekyll and Mr. HydeSubhasmita Mahapatra, Radheshyam Yadav, Wusirika RamakrishnaCell Biochemistry and Biophysics|September 22, 2023
Computer-aided Affinity Enhancement of a Cross-reactive Antibody against Dengue Virus Envelope Domain IIINisha Amarnath Jonniya, Sayan Poddar, Subhasmita Mahapatra, et al.Journal of Biomolecular Structure & Dynamics|May 9, 2023
Molecular dynamics simulations reveal phosphorylation-induced conformational dynamics of the fibroblast growth factor receptor 1 kinaseSubhasmita Mahapatra, Nisha Amarnath Jonniya, Suman Koirala, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|June 18, 2013
Extending multiple histogram reweighting to a continuous lattice spin system exhibiting a first-order phase transitionSuman SinhaPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|August 27, 2011
Nonuniversal behavior of the helicity modulus in a dense defect systemSuman SinhaJournal of Computational Chemistry|June 30, 2025
Unlocking the Conformational Secrets of DYRK1A Kinase With Computational Microscope: Exploring Phosphorylation-Driven Structural DynamicsKapil Dattatray Ursal, Md Fulbabu Sk, Subhasmita Mahapatra, et al.Pageof 7