<p>Residues involved in hydrogen bonds (HB) are depicted in ball and sticks and colored by ΔOcc (delta of occupancy). ΔOcc is calculated with the formula ΔOcc = Occ <i>Fh</i>CL—Occ <i>Fh</i>CL_34 from the data in <a href="http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0004834#pntd.0004834.s006" target="_blank">S5</a> and <a href="http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0004834#pntd.0004834.s007" target="_blank">S6</a> Tables. HB are represented by black dashed lines. The catalytic Cys-His dyad is colored by atom.</p
<p>Plot of the H-bond length for the central A⋯T bp of the model M3, for a MD simulation of 950 ns a...
ABSTRACT: Hydrogen bonding plays an important role in the interaction of biological molecules and th...
<p>The side chain of W236 forms a hydrogen bond with E358. The backbone of GLA is shown as a ribbon ...
<p>(a) Hydrogen bonds for HDAC2-C8 complex (yellow). (b) Hydrogen bonds for HDAC8-C8 complex (green)...
<p>The number of hydrogen bonds formed between ligands and active site residues of 09N1. ETT in thre...
<p>Chord diagram showing the H-bonds formed by the aminoacids in the <i>β</i>-hairpin and the rest o...
<p>Right: Solvent accessible surface area of base atoms d) N3-H e) O2 and f) O4 or N4H2 in case of t...
<p>See <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0099984#pone-0099984-t0...
<p>[a] Occupancy of hydrogen bonds (The occupancy >70% were listed).</p><p>[b] Hydrogen bond distanc...
Hydrogen bonds between compound 18 and compound 21 with NS2B/NS3pro that found with at least 0.1% oc...
Hydrogen bond analysis plots showing, A) Number of hydrogen bonds formed between TLR2 chain C and va...
<p>The carbon atoms of Lyr, Bar, SpAlr, and BsAlr are shown in green, magenta, yellow, and cyan, res...
<p>A hydrogen bond is listed in this table only if its occupancy is >30% in at least one model.</p><...
<p>The active site is shown in a green CPK (Corey-Pauling-Koltun) representation. The yellow “ball a...
<p>Hydrogen bond occupancy plots for each peptidomimetic are shown. In each sub-plot, the x-axis rep...
<p>Plot of the H-bond length for the central A⋯T bp of the model M3, for a MD simulation of 950 ns a...
ABSTRACT: Hydrogen bonding plays an important role in the interaction of biological molecules and th...
<p>The side chain of W236 forms a hydrogen bond with E358. The backbone of GLA is shown as a ribbon ...
<p>(a) Hydrogen bonds for HDAC2-C8 complex (yellow). (b) Hydrogen bonds for HDAC8-C8 complex (green)...
<p>The number of hydrogen bonds formed between ligands and active site residues of 09N1. ETT in thre...
<p>Chord diagram showing the H-bonds formed by the aminoacids in the <i>β</i>-hairpin and the rest o...
<p>Right: Solvent accessible surface area of base atoms d) N3-H e) O2 and f) O4 or N4H2 in case of t...
<p>See <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0099984#pone-0099984-t0...
<p>[a] Occupancy of hydrogen bonds (The occupancy >70% were listed).</p><p>[b] Hydrogen bond distanc...
Hydrogen bonds between compound 18 and compound 21 with NS2B/NS3pro that found with at least 0.1% oc...
Hydrogen bond analysis plots showing, A) Number of hydrogen bonds formed between TLR2 chain C and va...
<p>The carbon atoms of Lyr, Bar, SpAlr, and BsAlr are shown in green, magenta, yellow, and cyan, res...
<p>A hydrogen bond is listed in this table only if its occupancy is >30% in at least one model.</p><...
<p>The active site is shown in a green CPK (Corey-Pauling-Koltun) representation. The yellow “ball a...
<p>Hydrogen bond occupancy plots for each peptidomimetic are shown. In each sub-plot, the x-axis rep...
<p>Plot of the H-bond length for the central A⋯T bp of the model M3, for a MD simulation of 950 ns a...
ABSTRACT: Hydrogen bonding plays an important role in the interaction of biological molecules and th...
<p>The side chain of W236 forms a hydrogen bond with E358. The backbone of GLA is shown as a ribbon ...