Skip to main content

Table 1 Protein resolution and its stable conformational energy

From: 3-D structural interactions and quantitative structural toxicity studies of tyrosine derivatives intended for safe potent inflammation treatment

PDB ID

Description

Resolution (Å)

Initial potential energy

(kcal/mol)

Final potential energy

(kcal/mol)

3NT1

High resolution structure of naproxen:COX-2 complex

1.73

−492,721

−500,025

3KK6

Crystal structure of COX-1 in complex with celecoxib

2.75

248,964,312.95

−34,200.97

HMa

hERG IFD S terfenadine model 1

−15,609

−21,445.6

  1. a Homology modeling