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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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