<p>(A)–(D) are for the intermediate-II, III, IV, and V, respectively. The formation probabilities shown here are averaged on all the structures collected from multiple conventional MD simulations. Their values are indicated by the color scales. The hydrogen bonds pointed by the red arrows are native ones that exist in the native structure, while those pointed by the white arrows are non-native ones.</p
Occurrence frequency of hydrogen bonds per structure of L34B0, L34B1, L34B3 and L34B5 simulated in G...
<p>The figure shows the intermolecular H-bonds formed between HCTR1 and NADPH in the final represent...
<p>Percentages of hydrogen bond formation between LYS143 and TYR188 in each subunit along MD (A) and...
<p>(A)-(F) are for the intermediates from I<sub>1</sub> to I<sub>6</sub>. Different colors of the HB...
<p>(A)–(D) are for the intermediate-II, III, IV, and V, respectively. The structures are taken from ...
<p>Appearance rate with the probability of 50% or greater during MD simulation is shown in bold.</p>...
<p>(a) Hydrogen bonds for HDAC2-C8 complex (yellow). (b) Hydrogen bonds for HDAC8-C8 complex (green)...
<p>The normalized frequency of occurring H-bonds over simulation time is shown. The frequency is zer...
<p>Average number of (inter-, intra- or global) H-bonds found during the last 6 ns of the molecular ...
<p>Probability of hydrogen bond formation between T148 and T439 in WT (black) and Q136K (red) of tim...
<p>The number of hydrogen bonds formed between ligands and active site residues of 09N1. ETT in thre...
Hydrogen bonds (H-bonds) play a key role in both the formation and stabilization of protein structur...
<p>(A) Representative structures of the largest six clusters in the unfolded states. (B) HB map aver...
<p>In total 18 hydrogen bonds, which were found to either be stable in the native protein or to form...
<p>During the simulation time, the number of hydrogen bonds fluctuates mostly between 1and 2, which ...
Occurrence frequency of hydrogen bonds per structure of L34B0, L34B1, L34B3 and L34B5 simulated in G...
<p>The figure shows the intermolecular H-bonds formed between HCTR1 and NADPH in the final represent...
<p>Percentages of hydrogen bond formation between LYS143 and TYR188 in each subunit along MD (A) and...
<p>(A)-(F) are for the intermediates from I<sub>1</sub> to I<sub>6</sub>. Different colors of the HB...
<p>(A)–(D) are for the intermediate-II, III, IV, and V, respectively. The structures are taken from ...
<p>Appearance rate with the probability of 50% or greater during MD simulation is shown in bold.</p>...
<p>(a) Hydrogen bonds for HDAC2-C8 complex (yellow). (b) Hydrogen bonds for HDAC8-C8 complex (green)...
<p>The normalized frequency of occurring H-bonds over simulation time is shown. The frequency is zer...
<p>Average number of (inter-, intra- or global) H-bonds found during the last 6 ns of the molecular ...
<p>Probability of hydrogen bond formation between T148 and T439 in WT (black) and Q136K (red) of tim...
<p>The number of hydrogen bonds formed between ligands and active site residues of 09N1. ETT in thre...
Hydrogen bonds (H-bonds) play a key role in both the formation and stabilization of protein structur...
<p>(A) Representative structures of the largest six clusters in the unfolded states. (B) HB map aver...
<p>In total 18 hydrogen bonds, which were found to either be stable in the native protein or to form...
<p>During the simulation time, the number of hydrogen bonds fluctuates mostly between 1and 2, which ...
Occurrence frequency of hydrogen bonds per structure of L34B0, L34B1, L34B3 and L34B5 simulated in G...
<p>The figure shows the intermolecular H-bonds formed between HCTR1 and NADPH in the final represent...
<p>Percentages of hydrogen bond formation between LYS143 and TYR188 in each subunit along MD (A) and...