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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 739
Issue DateTitleAuthor(s)
2015-01Understanding the translocation of fluoroquinolones through OmpC using the metadynamicsPrajapati, Jigneshkumar D.
2015-01Atomistic modeling of two-dimensional electronic spectra and excited-state dynamics for a light harvesting 2 complexPrajapati, Jigneshkumar Dahyabhai
2015-04Outer-membrane translocation of bulky small molecules by passive diffusionPrajapati, Jigneshkumar Dahyabhai
2016-02Role of electroosmosis in the permeation of neutral molecules: CymA and cyclodextrin as an examplePrajapati, Jigneshkumar Dahyabhai
2016-02Electro-osmotic driven kinetics of cyclodextrin through the cyma channelPrajapati, Jigneshkumar Dahyabhai
2017-02Biophysical insight into the substrate permeation through the major outer membrane channels of acinetobacter baumanniiPrajapati, Jigneshkumar Dahyabhai
2017-02Effect of electroosmotic flow on the transport of α-cyclodextrin through the channel CymAPrajapati, Jigneshkumar Dahyabhai
2017-08Characterization of ciprofloxacin permeation pathways across the Porin OmpC using metadynamics and a string methodPrajapati, Jigneshkumar Dahyabhai
2018-01Enrofloxacin permeation pathways across the porin OmpCPrajapati, Jigneshkumar Dahyabhai
2018-02Understanding the structure and function of the Dcap channel from acinetobacter baumannii using MD simulationsPrajapati, Jigneshkumar D.
2018-11Brownian dynamics approach including explicit atoms for studying ion permeation and substrate translocation across nanoporesPrajapati, Jigneshkumar D.
2018-11Environmental effects on the dynamics in the light-harvesting complexes LH2 and LH3 based on molecular simulationsPrajapati, Jigneshkumar Dahyabhai
2019-02A multidisciplinary approach toward identification of antibiotic scaffolds for acinetobacter baumanniiPrajapati, Jigneshkumar Dahyabhai
2019-05Molecular interactions of cephalosporins with the deep binding pocket of the RND transporter AcrBPrajapati, Jigneshkumar Dahyabhai
2020-08Dynamic interaction of fluoroquinolones with magnesium ions monitored using bacterial outer membrane nanoporesPrajapati, Jigneshkumar Dahyabhai
2020-03Exploration of free energy surfaces across a membrane channel using metadynamics and umbrella samplingPrajapati, Jigneshkumar Dahyabhai
2020-05Dynamic interaction of norfloxacin to magnesium monitored by bacterial outer membrane nanoporesPrajapati, Jigneshkumar Dahyabhai
2020-06Computational modeling of ion transport in bulk and through a nanopore using the drude polarizable force fieldPrajapati, Jigneshkumar Dahyabhai
2020-09DFTB/MM molecular dynamics simulations of the FMO light-harvesting complexPrajapati, Jigneshkumar Dahyabhai
2020-11Voltage-dependent transport of neutral solutes through nanopores: a molecular viewPrajapati, Jigneshkumar Dahyabhai
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 739