Hydrogen bonds between compound 18 and compound 21 with NS2B/NS3pro that found with at least 0.1% occupancy throughout 70ns simulation time.</p
<p>(A) for PBP2x-R61-CES. (B) for PBP2x-A7-CES. Bond 1: Ser396 O - CES O7; Bond 2: Gly350 N - CES O3...
<p>Columns report the percentage of frames showing a particular hydrogen bond for tripeptides Xxx-Gl...
a<p> Peptide-PKA heavy atoms that form a HB (Notations of atoms refer to the name of atoms from the ...
<p>(a) Hydrogen bonds for HDAC2-C8 complex (yellow). (b) Hydrogen bonds for HDAC8-C8 complex (green)...
<p>During the simulation time, the number of hydrogen bonds fluctuates mostly between 1and 2, which ...
<p>The occurrence of the E440–N721 hydrogen bond in the five independent simulations of 500 ns for e...
<p>For each S620–N629 C distance (right), the number of hydrogen bonds formed by the N629 side-chain...
<p><sup><i>a</i></sup>Occupancy of hydrogen bonds (The occupancy >70% were listed).</p><p><sup><i>b<...
<p><sup><i>a</i></sup> Only H-bonds with occupancies >50% are shown.</p><p><sup><i>b</i></sup> Not o...
<p>A hydrogen bond is listed in this table only if its occupancy is >30% in at least one model.</p><...
<p>The normalized frequency of occurring H-bonds over simulation time is shown. The frequency is zer...
<p>Hydrogen bond formation by the native (blue) and the mutant (green) form of XRCC1 during 60 ns si...
<p>Residues involved in hydrogen bonding during the last 6.0 ns of each simulation.</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...
<p>[a] Occupancy of hydrogen bonds (The occupancy >70% were listed).</p><p>[b] Hydrogen bond distanc...
<p>(A) for PBP2x-R61-CES. (B) for PBP2x-A7-CES. Bond 1: Ser396 O - CES O7; Bond 2: Gly350 N - CES O3...
<p>Columns report the percentage of frames showing a particular hydrogen bond for tripeptides Xxx-Gl...
a<p> Peptide-PKA heavy atoms that form a HB (Notations of atoms refer to the name of atoms from the ...
<p>(a) Hydrogen bonds for HDAC2-C8 complex (yellow). (b) Hydrogen bonds for HDAC8-C8 complex (green)...
<p>During the simulation time, the number of hydrogen bonds fluctuates mostly between 1and 2, which ...
<p>The occurrence of the E440–N721 hydrogen bond in the five independent simulations of 500 ns for e...
<p>For each S620–N629 C distance (right), the number of hydrogen bonds formed by the N629 side-chain...
<p><sup><i>a</i></sup>Occupancy of hydrogen bonds (The occupancy >70% were listed).</p><p><sup><i>b<...
<p><sup><i>a</i></sup> Only H-bonds with occupancies >50% are shown.</p><p><sup><i>b</i></sup> Not o...
<p>A hydrogen bond is listed in this table only if its occupancy is >30% in at least one model.</p><...
<p>The normalized frequency of occurring H-bonds over simulation time is shown. The frequency is zer...
<p>Hydrogen bond formation by the native (blue) and the mutant (green) form of XRCC1 during 60 ns si...
<p>Residues involved in hydrogen bonding during the last 6.0 ns of each simulation.</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...
<p>[a] Occupancy of hydrogen bonds (The occupancy >70% were listed).</p><p>[b] Hydrogen bond distanc...
<p>(A) for PBP2x-R61-CES. (B) for PBP2x-A7-CES. Bond 1: Ser396 O - CES O7; Bond 2: Gly350 N - CES O3...
<p>Columns report the percentage of frames showing a particular hydrogen bond for tripeptides Xxx-Gl...
a<p> Peptide-PKA heavy atoms that form a HB (Notations of atoms refer to the name of atoms from the ...