<p>A) The initial conformation of CL-385319-hemagglutinin complex. B) The averaged conformation of CL-385319-hemagglutinin complex over MD simulation.</p
<p>A comparison between the RMSF plot for natural structures of proteins, proteins adsorbed onto the...
<p>(a) align the crystal structure (gray) with the structure adsorbed onto 4 nm SNP (blue), (b) alig...
Antibody molecules are highly antigen-specific receptors of the immune system. In this thesis, struc...
<p>(A) The potential energy plots showing the relatively stable complex system. (B) RMSD plot repres...
<div><p>(A) During the 10-ns control simulation.</p><p>(B) During the 4-ns TMD simulation.</p><p>Det...
<p>(A) The distances between the C<sub>α</sub> of specific residues located at the interfaces along ...
<p>Representative structures over the MD simulation are depicted, where the protein is colored in gr...
<p>(A) is the D1-D2 domain, (B) the D3 domain and (C) heavy atoms of the ligands. The initial confor...
The distance parameter between the center of mass of MHC class I (HLA-A*02:01) and its epitope pepti...
(a) Differences in the secondary structures (DSSPs) of T57 to A73 between the two systems. (b) Proba...
<p>(A) RMSFs as calculated from MD simulations for MHC and peptide residues (inset). Only positions ...
<p>Comparison between an average structure from MD simulation and the reference experimental NMR str...
<p>A set of conformations of (<i>S</i>)-warfarin-bound complex were generated by MD simulations. Nea...
(a) Differences in the secondary structures of residues P150 to K171 of the three systems. (b) Proba...
<p>The RMS fluctuations are calculated after superimposing the backbone atoms of each conformer (as ...
<p>A comparison between the RMSF plot for natural structures of proteins, proteins adsorbed onto the...
<p>(a) align the crystal structure (gray) with the structure adsorbed onto 4 nm SNP (blue), (b) alig...
Antibody molecules are highly antigen-specific receptors of the immune system. In this thesis, struc...
<p>(A) The potential energy plots showing the relatively stable complex system. (B) RMSD plot repres...
<div><p>(A) During the 10-ns control simulation.</p><p>(B) During the 4-ns TMD simulation.</p><p>Det...
<p>(A) The distances between the C<sub>α</sub> of specific residues located at the interfaces along ...
<p>Representative structures over the MD simulation are depicted, where the protein is colored in gr...
<p>(A) is the D1-D2 domain, (B) the D3 domain and (C) heavy atoms of the ligands. The initial confor...
The distance parameter between the center of mass of MHC class I (HLA-A*02:01) and its epitope pepti...
(a) Differences in the secondary structures (DSSPs) of T57 to A73 between the two systems. (b) Proba...
<p>(A) RMSFs as calculated from MD simulations for MHC and peptide residues (inset). Only positions ...
<p>Comparison between an average structure from MD simulation and the reference experimental NMR str...
<p>A set of conformations of (<i>S</i>)-warfarin-bound complex were generated by MD simulations. Nea...
(a) Differences in the secondary structures of residues P150 to K171 of the three systems. (b) Proba...
<p>The RMS fluctuations are calculated after superimposing the backbone atoms of each conformer (as ...
<p>A comparison between the RMSF plot for natural structures of proteins, proteins adsorbed onto the...
<p>(a) align the crystal structure (gray) with the structure adsorbed onto 4 nm SNP (blue), (b) alig...
Antibody molecules are highly antigen-specific receptors of the immune system. In this thesis, struc...
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