<p>Dashed lines correspond to the temporary distances in Å between the heme oxygen and the corresponding hydrogen atoms which undergo time variations during the simulation. Occasionally, Tyr145 forms a hydrogen bond to the heme when internal motion of the protein brings Tyr145 closer to the heme. There is no hydrogen bond formed between Asp145 and heme as they are too far apart from each other.</p
<p>Upon ligand binding, the main chain around heme anchor gains a total of four H-bonds. However, t...
<p>For each S620–N629 C distance (right), the number of hydrogen bonds formed by the N629 side-chain...
<p>Structure of the heme region of cyt <i>c</i> and the location of Tyr67 in the structure (pdb code...
<p>(A) Snapshots at 1 ps, 300 ps, 700 ps and 1000 ps. (B) Distances from the O<sup>ε1</sup> and O<su...
<p>(a) The hydrogen atoms are bonded to the heavy atom A with an sp3 hybrid orbital; (b) and (c) the...
<p>Percentages of hydrogen bond formation between SER146 and TYR93 in each subunit along MD (A) and ...
<p>Time series of the shortest distance between HG of Ser22 and OD1/OD2 of Asp96 of three independen...
In this paper, a clustering method was used to find out why the heme cofactor exhibits different pot...
<p>The probability of hydrogen bond formation between individual protein residues and DNA as a funct...
<p>The shortest distances (< 6 Å) between atoms of each pair of elements (Trp, Tyr and disulphide bo...
<p>(A) for PBP2x-R61-CES. (B) for PBP2x-A7-CES. Bond 1: Ser396 O - CES O7; Bond 2: Gly350 N - CES O3...
<p>A. Hydrogen bond interactions shown as dotted lines at the interface. B. Time dependent distances...
<p>Tyr714 and Glu658 are not hydrogen bonded in the 1L3S PDB (corresponding to a distance of 6.3 Å) ...
<div><p>(A) During the 10-ns control simulation.</p><p>(B) During the 4-ns TMD simulation.</p><p>Det...
<p>Only pairs occurring more than 5% of the simulation time and in at least one trajectory are liste...
<p>Upon ligand binding, the main chain around heme anchor gains a total of four H-bonds. However, t...
<p>For each S620–N629 C distance (right), the number of hydrogen bonds formed by the N629 side-chain...
<p>Structure of the heme region of cyt <i>c</i> and the location of Tyr67 in the structure (pdb code...
<p>(A) Snapshots at 1 ps, 300 ps, 700 ps and 1000 ps. (B) Distances from the O<sup>ε1</sup> and O<su...
<p>(a) The hydrogen atoms are bonded to the heavy atom A with an sp3 hybrid orbital; (b) and (c) the...
<p>Percentages of hydrogen bond formation between SER146 and TYR93 in each subunit along MD (A) and ...
<p>Time series of the shortest distance between HG of Ser22 and OD1/OD2 of Asp96 of three independen...
In this paper, a clustering method was used to find out why the heme cofactor exhibits different pot...
<p>The probability of hydrogen bond formation between individual protein residues and DNA as a funct...
<p>The shortest distances (< 6 Å) between atoms of each pair of elements (Trp, Tyr and disulphide bo...
<p>(A) for PBP2x-R61-CES. (B) for PBP2x-A7-CES. Bond 1: Ser396 O - CES O7; Bond 2: Gly350 N - CES O3...
<p>A. Hydrogen bond interactions shown as dotted lines at the interface. B. Time dependent distances...
<p>Tyr714 and Glu658 are not hydrogen bonded in the 1L3S PDB (corresponding to a distance of 6.3 Å) ...
<div><p>(A) During the 10-ns control simulation.</p><p>(B) During the 4-ns TMD simulation.</p><p>Det...
<p>Only pairs occurring more than 5% of the simulation time and in at least one trajectory are liste...
<p>Upon ligand binding, the main chain around heme anchor gains a total of four H-bonds. However, t...
<p>For each S620–N629 C distance (right), the number of hydrogen bonds formed by the N629 side-chain...
<p>Structure of the heme region of cyt <i>c</i> and the location of Tyr67 in the structure (pdb code...