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Table 1 Best rank for (re)scoring with ZDOCK, \(E_{86}^{\text {initial}}\), E 86, E OPEP, and \(E_{\text {OPEP}}^{\text {int}}\) for complexes from the ZDOCK benchmark 4.0. \(\varnothing \) indicates the average rank for the complex class in question

From: Evaluation of the coarse-grained OPEP force field for protein-protein docking

Complex

ZDOCK

\(E_{86}^{\text {initial}}\)

E 86

E OPEP

\(E_{\text {OPEP}}^{\text {int}}\)

Enzyme/inhibitor

1ACB

47

11

14

1

16

1AVX

1

128

3

27

31

1AY7

330

205

358

730

858

1BVN

1

39

1

98

1

1CGI

28

52

9

2

70

1CLV

1

2

1

1

1

1DFJ

1

102

1

14

4

1EAW

332

194

151

469

124

1EZU

121

919

11

946

559

1F34

176

428

2

1664

79

1FLE

1797

179

223

35

424

1GL1

49

116

8

107

34

1GXD

229

84

2

4

47

1HIA

389

88

901

1300

1392

1IJK

1296

924

355

70

5

1JIW

1350

504

553

989

851

1JTG

1

5

1

23

9

1MAH

1

80

87

9

27

1NW9

750

105

392

857

569

1N8O

11

11

14

9

12

1OC0

225

82

240

70

83

1OPH

28

150

422

903

822

2O8V

34

20

502

112

308

1OYV

3

34

1

2

381

1PPE

1

7

1

1

2

1R0R

533

896

40

151

856

1TMQ

7

228

3

295

1

1UDI

9

446

2

158

2

1YVB

11

86

47

220

67

2ABZ

689

670

772

619

1121

2B42

1

57

40

44

192

2J0T

1730

677

179

579

178

2MTA

1

122

104

13

43

2OUL

1

30

1

23

1

2SIC

1

145

1

3

5

3SGQ

309

158

16

596

260

2UUY

258

279

65

180

361

4CPA

1

1

4

1

20

7CEI

1

30

55

51

9

\(\varnothing \)

275.7

212.7

143.1

291.7

251.9

Antigen/antibody

1AHW

1387

542

1087

1161

1563

1BJ1

1

20

132

89

230

1BVK

10

143

356

6

283

1DQJ [a]

1671

150

–

–

–

1E6J

8

8

39

21

10

1FSK

5

5

181

135

373

1I9R

31

39

177

23

109

1IQD

2

41

1

4

1

1JPS

1261

221

14

1635

1930

1KXQ

6

192

34

532

9

1K4C

120

201

1077

14

166

1MLC

188

1194

104

395

314

1NCA

389

331

774

1091

1340

1VFB

45

163

198

33

586

2FD6

2

82

20

16

268

2HMI

62

178

516

4

766

2I25

12

2

7

45

39

2JEL

22

85

18

49

139

2VIS

725

557

1538

625

1095

\(\varnothing \)

313.0

246.1

435.4

414.6

485.3

Other complexes

1AKJ

754

47

1823

787

1887

1B6C

1

13

1

1

1

1BUH

62

25

304

10

2

1DE4

4

472

38

39

52

1F51

9

22

32

166

176

1FC2

1286

1672

1654

896

224

1FFW

41

47

47

111

433

1GLA

210

326

1013

329

1296

1GPW

3

2

1

111

997

1H9D

203

53

386

297

345

1HE1

821

1837

871

1907

1702

1I2M

354

828

3

482

262

1JK9

998

735

305

891

552

1JZD

31

141

208

3

92

1K74

1

26

1

110

717

1ML0

1

12

2

2

3

1RV6

1

188

4

1

2

1S1Q

1696

925

780

1635

932

1SYX

149

345

123

24

781

1T6B

439

224

14

130

30

1US7

150

107

772

283

341

1WDW

1

3

23

12

326

1XD3

3

25

1

1

1

1XU1

37

69

5

6

1

1Z5Y

31

1

1

1

1

1ZHI

187

43

608

156

471

2AJF

1115

318

1029

195

494

2A5T

824

421

148

573

1149

2AYO

6

112

3

700

902

2CFH

1

18

1

3

3

2HLE

54

29

20

52

74

2HRK

2

76

64

30

5

2IDO

171

314

73

577

11

2NZ8

1002

281

81

793

243

2VDB

43

36

1

13

309

2Z0E

123

181

187

684

1346

3BP8

998

375

131

538

242

3D5S

524

29

1

34

246

\(\varnothing \)

324.6

273.1

283.1

331.1

438.2

  1. [a] The rank is set to 2000 for calculating the average