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Table 4 van der Waals parameters (based on AMBER force field) used to calculate the Lennard-Jones repulsive energy in this project

From: IFACEwat: the interfacial water-implemented re-ranking algorithm to improve the discrimination of near native structures for protein rigid docking

Atom

σ(Å)

ε(kcal/mol)

C

1.7

0.173

N

1.55

0.179

O

1.52

0.2

S

1.8

0.2

H

1.2

0.063

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BMC Bioinformatics

ISSN: 1471-2105

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