<p>Distance between the centre of mass of the ligand and that of residues lying within 0.30 nm at the start of the simulation.</p
<p>(A) AR-gingerenone A complex (B) AR-gingerenone B complex. The x-axis represents the MD simulatio...
<p>Representative structures over the MD simulation are depicted, where the protein is colored in gr...
The distance parameter between the center of mass of MHC class I (HLA-A*02:01) and its epitope pepti...
<p>Relative positions of ligands at the start and end of the MD simulations (100 ns). (a) AgamOBP1-D...
<p>(a) AgamOBP1 chain A in complex with DEET and 6-MH, and in the absence of ligand; (b) similarly f...
<p>The grey area denotes the heating phase (cf. text). (A) Root mean square distances (rmsd) of the ...
<p>RMSF of backbone atoms of AgamOBP1-DEET and AgamOBP1-6MH multiligand complexes.</p
<p>The variation in basal spacing distance in the Na-MMT/amine-containing drugs models during 1 ns m...
<p>Subscripts 1 and 2 indicate different sets of MD simulations. Subscipts 1 and 2 are first and sec...
<p>N-terminal stability between the two dimeric systems (with and without metal ion) is quantified b...
<p>(A) is the D1-D2 domain, (B) the D3 domain and (C) heavy atoms of the ligands. The initial confor...
<p>A) The initial conformation of CL-385319-hemagglutinin complex. B) The averaged conformation of C...
<p>Variation of the distances of the center of mass of the two subunits of bOBP during the time, for...
Distances measured between distinctive parts of amino acid residues surrounding the ligand
<p>(A) The distances between the C<sub>α</sub> of specific residues located at the interfaces along ...
<p>(A) AR-gingerenone A complex (B) AR-gingerenone B complex. The x-axis represents the MD simulatio...
<p>Representative structures over the MD simulation are depicted, where the protein is colored in gr...
The distance parameter between the center of mass of MHC class I (HLA-A*02:01) and its epitope pepti...
<p>Relative positions of ligands at the start and end of the MD simulations (100 ns). (a) AgamOBP1-D...
<p>(a) AgamOBP1 chain A in complex with DEET and 6-MH, and in the absence of ligand; (b) similarly f...
<p>The grey area denotes the heating phase (cf. text). (A) Root mean square distances (rmsd) of the ...
<p>RMSF of backbone atoms of AgamOBP1-DEET and AgamOBP1-6MH multiligand complexes.</p
<p>The variation in basal spacing distance in the Na-MMT/amine-containing drugs models during 1 ns m...
<p>Subscripts 1 and 2 indicate different sets of MD simulations. Subscipts 1 and 2 are first and sec...
<p>N-terminal stability between the two dimeric systems (with and without metal ion) is quantified b...
<p>(A) is the D1-D2 domain, (B) the D3 domain and (C) heavy atoms of the ligands. The initial confor...
<p>A) The initial conformation of CL-385319-hemagglutinin complex. B) The averaged conformation of C...
<p>Variation of the distances of the center of mass of the two subunits of bOBP during the time, for...
Distances measured between distinctive parts of amino acid residues surrounding the ligand
<p>(A) The distances between the C<sub>α</sub> of specific residues located at the interfaces along ...
<p>(A) AR-gingerenone A complex (B) AR-gingerenone B complex. The x-axis represents the MD simulatio...
<p>Representative structures over the MD simulation are depicted, where the protein is colored in gr...
The distance parameter between the center of mass of MHC class I (HLA-A*02:01) and its epitope pepti...
DOI
Add to ORKG