(A) Measurement of concave surface regions on Ps_cOTC and Ps_aOTC using the Computed Atlas of Surface Topography of proteins (CASTp). The pocket regions of each protein are visualized with red blobs. The active site is indicated with a white dotted circle. (B) The surface electrostatic potential of OTCs is shown as red (−3 kT/e) and blue (+3 kT/e) surfaces. Closed-up views of each binding pocket with CP and NVA bound to Vvu OTC from Vibrio vulnificus (PDB code: 4H31) are indicated by yellow sticks.</p
<p>The electrostatic surface calculations were done using APBS [<a href="http://www.plosone.org/arti...
<p>Calculated electrostatic surfaces of the enzymes are shown, with acidic regions in red, basic reg...
<p>Electrostatic potentials were calculated using the APBS plugin in PyMol. Electropositive regions ...
(A) The surface area and volume of esterase and lipase based on the molecular surface are represente...
Top-scoring poses of (A) compound 1 and (B) 2 docked into site 3 pocket, and (C) top-scoring pose of...
<p>(A) EPS for open conformation ABCC6 model, (B) EPS for closed conformation ABCC6 model. (C, D) EP...
<p>The electrostatic potentials are calculated on the X-ray structures of 14-3-3γ (PDB 2B05) (A, C, ...
<p>A) Binding pathways from DF/HRE-MD simulations depicted as connected dots referring to the probab...
<p>The images depict membrane interaction areas of the WT (A) and H1047R mutant (B) first cluster re...
<p>Surface representation for CtDsbA of the catalytic (left) and non-catalytic (right) faces. The ac...
<p><b>A,</b> Surface charge representation of hQPCT (PDB id 2AFM) where region of positive, negative...
<p>Surface diagrams are coloured by electrostatic properties as calculated by APBS using all default...
<p>The surface is coloured by electrostatic potential, as calculated using PyMol, and the GDP and Mn...
<p>Comparison of the electrostatic surface of the starting structures of the proteins, two views are...
<p>Front view and back view of surface electrostatic potential map for the snapshots shown in <a hre...
<p>The electrostatic surface calculations were done using APBS [<a href="http://www.plosone.org/arti...
<p>Calculated electrostatic surfaces of the enzymes are shown, with acidic regions in red, basic reg...
<p>Electrostatic potentials were calculated using the APBS plugin in PyMol. Electropositive regions ...
(A) The surface area and volume of esterase and lipase based on the molecular surface are represente...
Top-scoring poses of (A) compound 1 and (B) 2 docked into site 3 pocket, and (C) top-scoring pose of...
<p>(A) EPS for open conformation ABCC6 model, (B) EPS for closed conformation ABCC6 model. (C, D) EP...
<p>The electrostatic potentials are calculated on the X-ray structures of 14-3-3γ (PDB 2B05) (A, C, ...
<p>A) Binding pathways from DF/HRE-MD simulations depicted as connected dots referring to the probab...
<p>The images depict membrane interaction areas of the WT (A) and H1047R mutant (B) first cluster re...
<p>Surface representation for CtDsbA of the catalytic (left) and non-catalytic (right) faces. The ac...
<p><b>A,</b> Surface charge representation of hQPCT (PDB id 2AFM) where region of positive, negative...
<p>Surface diagrams are coloured by electrostatic properties as calculated by APBS using all default...
<p>The surface is coloured by electrostatic potential, as calculated using PyMol, and the GDP and Mn...
<p>Comparison of the electrostatic surface of the starting structures of the proteins, two views are...
<p>Front view and back view of surface electrostatic potential map for the snapshots shown in <a hre...
<p>The electrostatic surface calculations were done using APBS [<a href="http://www.plosone.org/arti...
<p>Calculated electrostatic surfaces of the enzymes are shown, with acidic regions in red, basic reg...
<p>Electrostatic potentials were calculated using the APBS plugin in PyMol. Electropositive regions ...