IndraLab

Statements

Ztz240 binds KCNQ2. 7 / 7
| 5 2
reach
"ML213 on KCNQ4 and retigabine (RTG) on KCNQ4 and KCNQ2 bind in the same pocket which partially overlaps with the ML277 binding site, whereas ztz240 binds to KCNQ2 in a separate voltage sensor location."
35768468
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."
23797855
sparser
"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 )."
23797855
reach
"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."
29593528
reach
"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."
23797855
reach
"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."
23797855
reach
"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."
32288960