<p>Panels A–B: The binding of MK-2206 and inhibitor VIII are displayed. The hydrogen bond is shown as green-dashed line with indicated bond length and the residues involved in hydrophobic interactions are shown as red arcs. The interacting residues which are common for both the ligands are encircled. Panel C: The exact orientation of binding for both the ligands in the binding site of the protein is shown. Panel D: Schematic structure of MK-2206 and inhibitor VIII are shown. The three ring moieties of both the molecules are encircled.</p
<p>The figure shows the binding mode of (A) compound <b>37</b> and (B) compound <b>17</b>. Residues ...
<p>(A) Structure of the ALK2-K02288 complex. Inset shows the interactions of K02288 in the ATP pocke...
BACKGROUND: In the last decade, the inhibition of protein-protein interactions (PPIs) has emerged fr...
<p>Panels A–B: Schematic structure of MK-2206 and its analog are shown. The only difference between ...
<p>The pictures on the left side are of HL complexed with (a) CHEMBL339297 and (c) CHEMBL133897. The...
<p>The pictures on the left side are of LPL complexed with (a) CHEMBL339297, and (c) CHEMBL485946. T...
<p>Panels A–I: The (un)binding simulation phases of MK-2206; ‘A’ denotes farthest phase from the bin...
<p>Panel A: Human AKT1 is illustrated in cartoon representation and MK-2206 is in stick representati...
<p>Complexes with representative ligands, fulfilling each binding mode are shown. Representation sch...
<p>(A) Three best PDMs, RASE0048 (red), RASE0049 (green), and RASE0143 (blue), docked in the binding...
<p>Panel A shows a surface representation of the complex of 3Dpol (yellow) with RNA (gray ribbons fo...
A computational investigation has been carried out on CYP2A6 and its naphthalene inhibitors to explo...
<div><p>The AKT signaling pathway has been identified as an important target for cancer therapy. Amo...
<p><b>Two dimensional representation of interaction observed between PL6 and its interacting protein...
<p>(A) Structural overview of KGF-KITLG interacting interface predicted by PISA, the interacting res...
<p>The figure shows the binding mode of (A) compound <b>37</b> and (B) compound <b>17</b>. Residues ...
<p>(A) Structure of the ALK2-K02288 complex. Inset shows the interactions of K02288 in the ATP pocke...
BACKGROUND: In the last decade, the inhibition of protein-protein interactions (PPIs) has emerged fr...
<p>Panels A–B: Schematic structure of MK-2206 and its analog are shown. The only difference between ...
<p>The pictures on the left side are of HL complexed with (a) CHEMBL339297 and (c) CHEMBL133897. The...
<p>The pictures on the left side are of LPL complexed with (a) CHEMBL339297, and (c) CHEMBL485946. T...
<p>Panels A–I: The (un)binding simulation phases of MK-2206; ‘A’ denotes farthest phase from the bin...
<p>Panel A: Human AKT1 is illustrated in cartoon representation and MK-2206 is in stick representati...
<p>Complexes with representative ligands, fulfilling each binding mode are shown. Representation sch...
<p>(A) Three best PDMs, RASE0048 (red), RASE0049 (green), and RASE0143 (blue), docked in the binding...
<p>Panel A shows a surface representation of the complex of 3Dpol (yellow) with RNA (gray ribbons fo...
A computational investigation has been carried out on CYP2A6 and its naphthalene inhibitors to explo...
<div><p>The AKT signaling pathway has been identified as an important target for cancer therapy. Amo...
<p><b>Two dimensional representation of interaction observed between PL6 and its interacting protein...
<p>(A) Structural overview of KGF-KITLG interacting interface predicted by PISA, the interacting res...
<p>The figure shows the binding mode of (A) compound <b>37</b> and (B) compound <b>17</b>. Residues ...
<p>(A) Structure of the ALK2-K02288 complex. Inset shows the interactions of K02288 in the ATP pocke...
BACKGROUND: In the last decade, the inhibition of protein-protein interactions (PPIs) has emerged fr...