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Table 1 Overall prediction accuracy, binding energy and running time comparison of Vina, PSOVina, GWOVina MPSOVina and MRDPSOVina

From: Parallel multi-swarm cooperative particle swarm optimization for protein–ligand docking and virtual screening

 

Mean RMSD (Å)

Mean succ (%)

Mean energy a

P-value b

Mean time (s)

Vina

2.521 ± 0.328

64.35

− 8.680

2.73e-10

39.77

PSO-c4

2.283 ± 0.262

66.67

− 8.402

0.081

8.17

PSOVina

2.787 ± 0.274

59.47

− 8.274

3.99e-9

3.91

GWOVina

2.411 ± 0.317

65.72

− 8.671

2.87e-11

8.25

MPSOVina

2.133 ± 0.264

70.53

− 8.594

0.27

4.27

MRDPSO-c4

2.189 ± 0.272

69.75

− 8.572

0.0015

6.08

MRDPSOVina

2.056 ± 0.259

71.05

− 8.607

–

4.28

  1. aThe unite of mean binding energy is Kcal mol−1
  2. bP-value is calculated by comparing two sets of mean RMSD results obtained by the MRDPSOVina and another docking method, respectively
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BMC Bioinformatics

ISSN: 1471-2105

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