TABLE 3.

Calculated binding energies of selected structures

Compound	Energya
	E (uncorr)	E (corr)
Novclobiocin 731	−67.1	−56.3
Novclobiocin 701	−61.2	−55.2
Novclobiocin 311	−66.2	−54.2
Novclobiocin 313	−64.1	−53.1
Novclobiocin 601	−61.9	−52.9
Novclobiocin 603	−59.9	−52.9
Clorobiocin	−68.5	−52.5
Novclobiocin 741	−63.5	−52.5
Novclobiocin 314	−66.0	−52.0
Novclobiocin 386	−66.0	−52.0
Novclobiocin 217	−66.4	−51.4
Novclobiocin 225	−66.7	−50.7
Novclobiocin 604	−61.6	−46.9
Novclobiocin 203	−62.8	−45.8
Novclobiocin 201	−64.9	−44.9
Novclobiocin 371	−64.7	−44.7
Novclobiocin 219	−50.7	−36.7

^aEnergies (E) are given in Moloc energy units. E(uncorr), ligand/protein interaction energy; E(corr), energy corrected for conformational strain.