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. 2023 Jan 31;19(1):28–31. doi: 10.6026/97320630019028

Table 5. Energy overview Descriptors of Benidipine with ALR2 & RAGE.

Energy Overview: Descriptors Benidipine with ALR2 (Kcal/mol) Benidipine with RAGE Kcal/mol
Total Energy -206.34 -150.4
External Ligand interactions -224.29 -140.92
Protein - Ligand interactions -224.29 -140.92
Steric (by PLP) -217.31 -137.8
Steric (by LJ12-6) 26.64 -23.09
Hydrogen bonds -6.97 -3.11
Hydrogen bonds (no directionality) -9.05 -6.19
Electrostatic (short range) 0 0
Electrostatic (long range) 0 0
Internal Ligand interactions 17.95 -10.77
Torsional strain 3.99 0
Torsional strain (sp2-sp2) 0 0
Hydrogen bonds 0 0
Steric (by PLP) 13.96 -20.26
Steric (by LJ12-6) 115.44 84.78
Electrostatic 0 0