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Table 1 Summary data for the 1417 PDB structure files.

From: Four-body atomic potential for modeling protein-ligand binding affinity: application to enzyme-inhibitor binding energy prediction

Atom Types

Count

Proportion

C

3,612,988

0.633193

N

969,253

0.169866

O

1,088,410

0.190749

S

28,502

0.004995

(all metals) M

2,529

0.000443

(all other non-metals) X

4,299

0.000754

Total atom count:

5,705,981

 

Total tetrahedron count:

34,504,737

 
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BMC Structural Biology

ISSN: 1472-6807

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