IndraLab

Statements

KCNQ2 binds ztz240. 7 / 7
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"By substituting the values of the eight parameters listed in Equation (24) into Equations (18-22), we can compute the probabilities of the allowed configurations for ztz240 binding to KCNQ2 (CF0-CF4) at different concentrations."
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"Therefore, Induced Fit, a flexible docking program that considers the flexibilities of both ligand and side chains of a target protein, was applied to simulate the binding of ztz240 to KCNQ2."
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sparser
"Therefore, Induced Fit, a flexible docking program that considers the flexibilities of both ligand and side chains of a target protein, was applied to simulate the binding of ztz240 to KCNQ2."
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"The model of the ztz240-KCNQ2 interaction clearly describes a broad pocket in the VSD, extending from the extracellular mouth of the VSD to R210 ( xref )."
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"Based on the docking model of ztz240 to the KCNQ2 homology model, one MD simulation on the ztz240 and KCNQ2 complex was conducted by using GROMACS 4.5.4 package [XREF_BIBR], which provided a structural binding model for ztz240."
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"Based on the docking model of ztz240 (a KCNQ2 activator reported previously [59]) to the KCNQ2 homology model, one MD simulation on the ztz240/KCNQ2 complex was conducted by using GROMACS 4.5.4 package [50], which provided a structural binding model for ztz240."
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"The model of the tetramer of ztz240 and KCNQ2 complex was embedded into a patch of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) bilayer and then subjected to a 200-ns MD simulation."
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