Exploration of Free Energy Surfaces Across a Membrane Channel Using Metadynamics and Umbrella Sampling
Vinaya Kumar Golla(University of Virginia), Ulrich Kleinekathöfer(Constructor University), Manas Joshi(Constructor University), Jigneshkumar Dahyabhai Prajapati(Constructor University)
Cited by 37
Related Papers
Effect of the F610A Mutation on Substrate Extrusion in the AcrB Transporter: Explanation and Rationale by Molecular Dynamics Simulations
|Journal of the American Chemical Society|2011|85
Fosfomycin Permeation through the Outer Membrane Porin OmpF
|Biophysical Journal|2018|40
Crosslinked and biofunctionalized γ-cyclodextrin metal organic framework to enhance cellular binding efficiency
|Materials Chemistry and Physics|2022|28
Functional diversity among cardiolipin binding sites on the mitochondrial ADP/ATP carrier
|The EMBO Journal|2024|26
Curvature sensing lipid dynamics in a mitochondrial inner membrane model
|Communications Biology|2024|18