Estimating the profile of the mean force potential for transmembrane transport of a water molecule by the umbrella sampling method

zbMATH Open1374.92036MaRDI QIDQ2963785FDOQ2963785

Authors: M. Yu. Antonov, T. V. Naumenkova, A. V. Popinako, I. N. Nikolaev, K. V. Shaitan 

Publication date: 21 February 2017

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zbMATH Keywords

biomembranemolecular modelingumbrella sampling method

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Biophysics (92C05)

Cited In (2)

• MULTISCALE MODELLING OF PERMEATION THROUGH MEMBRANE CHANNELS USING PREGENERATED MOLECULAR DYNAMICS TRAJECTORIES
• Quantifying density fluctuations in volumes of all shapes and sizes using indirect umbrella sampling

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