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The Journal of Physical Chemistry. B|November 11, 2020
Voltage-Dependent Transport of Neutral Solutes through Nanopores: A Molecular ViewJigneshkumar Dahyabhai Prajapati, Ulrich Kleinekathöfer
Chemical Reviews|March 16, 2021
How to Enter a Bacterium: Bacterial Porins and the Permeation of AntibioticsJigneshkumar Dahyabhai Prajapati, Ulrich Kleinekathöfer, Mathias Winterhalter
Journal of Chemical Theory and Computation|June 17, 2021
Improved Sampling and Free Energy Estimates for Antibiotic Permeation through Bacterial PorinsAbhishek Acharya, Jigneshkumar Dahyabhai Prajapati, Ulrich Kleinekathöfer
The Journal of Physical Chemistry. B|May 26, 2022
Atomistic Simulation of Molecules Interacting with Biological Nanopores: From Current Understanding to Future DirectionsAbhishek Acharya, Jigneshkumar Dahyabhai Prajapati, Ulrich Kleinekathöfer
Journal of Chemical Theory and Computation|December 30, 2020
Millisecond-Long Simulations of Antibiotics Transport through Outer Membrane ChannelsVinaya Kumar Golla, Jigneshkumar Dahyabhai Prajapati, Ulrich Kleinekathöfer
Journal of Molecular Biology|August 13, 2022
Exploring the Energy Landscape of Riboswitches Using Collective Variables Based on Tertiary ContactsJigneshkumar Dahyabhai Prajapati, José N Onuchic, Karissa Y Sanbonmatsu
Chemical Science|June 7, 2021
Dynamic interaction of fluoroquinolones with magnesium ions monitored using bacterial outer membrane nanoporesJiajun Wang, Jigneshkumar Dahyabhai Prajapati, Ulrich Kleinekathöfer, et al.
Journal of Chemical Theory and Computation|March 14, 2020
Exploration of Free Energy Surfaces Across a Membrane Channel Using Metadynamics and Umbrella SamplingVinaya Kumar Golla, Jigneshkumar Dahyabhai Prajapati, Manas Joshi, et al.
Research Square|May 9, 2025
Cryo-EM reveals remodeling of a tandem riboswitch at 2.9 Å resolutionNathan Jespersen, Jigneshkumar Dahyabhai Prajapati, Ankush Singhal, et al.
Journal of Chemical Theory and Computation|August 18, 2017
Characterization of Ciprofloxacin Permeation Pathways across the Porin OmpC Using Metadynamics and a String MethodJigneshkumar Dahyabhai Prajapati, Carlos José Fernández Solano, Mathias Winterhalter, et al.
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