Jagannath Mondal, Ph.D

Affiliations: 
TIFR Centre for Interdisciplinary Sciences  
Area:
Computer simulations
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"Jagannath Mondal"
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Parents

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Arun Yethiraj grad student 2006-2011 UW Madison
 (Multiscale computer simulation study of amphiphilic macromolecules.)
Bruce J. Berne post-doc 2011-2015 Columbia
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Publications

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Sk S, Majumdar BB, Vikraman D, et al. (2025) A Dynamic Sugar-Selective Bacterial Nanopore for Targeted Antibiotic Transport. Small (Weinheim An Der Bergstrasse, Germany). e2502110
Vikraman D, Majumdar BB, Sk S, et al. (2024) Conformational flexibility driving charge-selective substrate translocation across a bacterial transporter. Chemical Science. 15: 9333-9344
Dandekar BR, Majumdar BB, Mondal J. (2023) Nonmonotonic Modulation of the Protein-Ligand Recognition Event by Inert Crowders. The Journal of Physical Chemistry. B. 127: 7449-7461
Ahalawat N, Sahil M, Mondal J. (2023) Resolving Protein Conformational Plasticity and Substrate Binding via Machine Learning. Journal of Chemical Theory and Computation
Majumdar BB, Mondal J. (2022) Impact of Inert Crowders on Host-Guest Recognition Process. The Journal of Physical Chemistry. B
Bandyopadhyay S, Majumdar BB, Mondal J. (2022) Solvent's Role in Cavity-Ligand Recognition Would Depend on the Mode of Ligand Diffusion. The Journal of Physical Chemistry. B
Koneru JK, Sinha S, Mondal J. (2021) Molecular Dynamics Simulations Elucidate Oligosaccharide Recognition Pathways by Galectin-3 at Atomic Resolution. The Journal of Biological Chemistry. 101271
Mukherjee M, Mondal J. (2020) Bottom-Up View of the Mechanism of Action of Protein-Stabilizing Osmolytes. The Journal of Physical Chemistry. B
Mukherjee M, Mondal J. (2020) Unifying the Contrasting Mechanisms of Protein-Stabilising Osmolytes. The Journal of Physical Chemistry. B
Dandekar BR, Mondal J. (2020) Capturing Protein-Ligand Recognition Pathways in Coarse-Grained Simulation. The Journal of Physical Chemistry Letters
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