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Table 1 Test cases classified by the number of torsions

From: Diversity-guided Lamarckian random drift particle swarm optimization for flexible ligand docking

Ntora

PDB

0

3jya, 3udh, 4kzu

1

1bcu, 1gpn, 2xys, 3arv, 3rsx, 4ddk

2

1c5z, 1o5b, 1r5y, 1 s38, 2iwx, 2weg, 2yki, 3ary, 3g2z, 3gv9, 3kr8, 3pxf, 3twp, 3u5j, 3zt2, 4f09, 4gfm, 4jsz, 4 k77, 4kzq, 4mme, 4owm, 4u4s

3

1e66, 1gpk, 1qkt, 1uto, 1ydr, 2pog, 2wer, 3acw, 3ao4, 3bgz, 3g3l, 3gy4, 3kgp, 3pyy, 3wtj, 4cr9, 4de1, 4de3, 4e6q, 4ih5, 4j21, 4llx, 4m0y, 5c28

4

1q8u, 1syi, 2al5, 2cbv, 2hb1, 2j7h, 2v00, 2wcn, 2wtv, 2ymd, 3b27, 3dx1, 3f3a, 3f3c, 3g0w, 3 g2, 3lka, 3n7a, 3qqs, 3rr4, 3u8k, 3u8n, 4abg, 4ddh, 4dli, 4hge, 4ivb, 4j28

5

1nc3, 1o3f, 1oyt, 1p1n, 1p1q, 1 ps3, 1q8t, 2r9w, 2wn9, 2xj7, 3d4z, 3d6q, 3dd0, 3fcq, 3fur, 3gbb, 3jvr, 3qgy, 3rlr, 3ryj, 3uuo, 4e5w, 4f9w, 4gkm, 4ih7, 4ivc, 4 k18, 4kz6, 4m0z, 4mgd, 4pcs, 4qac, 5aba

6

1lowh, 1pxn, 1w4o, 2brb, 2c3i, 2j78, 2p15, 2qe4, 2xnb, 3dx2, 3dxg, 3e93, 3ebp, 3f3d, 3f3e, 3gc5, 3k5v, 3l7b, 3r88, 3syr, 3ui7, 3uo4, 4bkt, 4ivd, 4jxs, 4rfm, 4twp, 5dwr

7

1nc1, 1y6r, 1yc1, 1z9g, 2fvd, 2vvn, 2w66, 2wvt, 2 × 00, 2xbv, 2xii, 2zb1, 3b65, 3cj4, 3e92, 3ehy, 3fv2, 3g2n, 3nq9, 3up2, 4ciw, 4de2, 4djv, 4eor, 4f2w, 4j3l, 4jfs, 4jia, 4lzs

8

1bzc, 1sqa, 1ydt, 1z95, 2br1, 2cet, 2qbr, 2v7a, 2w4x, 2xb8, 2xdl, 2zcq, 2zy1, 3aru, 3b5r, 3fv1, 3ge7, 3ivg, 3jvs, 3mss, 3n76, 3n86, 3p5o, 4dld, 4qd6, 4wiv

9

4k1i, 1mq6, 1nvq, 1o0h, 2y5h, 2zda, 3e5a, 3gnw, 3u9q, 3wz8, 4cra, 4crc, 4f3c, 4ty7, 4w9i, 4x6p

10

1z6e, 2qbp, 2qnq, 3arq, 3ejr, 3nx7, 3oe4, 3ozt, 3zdg, 3zsx, 4w9c

11

1vso, 2qbq, 2vw5, 2wca, 2yfe, 2zcr, 3b68, 3nw9, 3oe5, 3ozs, 3ueu, 4agn, 4eky, 5c2h

12

2p4y, 2wbg, 3b1m, 4agp, 4agq, 4ea2, 4eo8

13

1 h22, 2fxs, 2yge, 3coz, 3kwa, 3myg, 3uev, 4cig, 4w9h, 5a7b

14

1g2k, 1lpg, 1qf1, 3coy, 4 g0

15

1a30, 1 h23, 3arp, 3tsk, 3uew, 3zso, 4ogj

16

1u1b, 3bv9, 3utu

17

1eby, 3o9i, 3pww, 3uex, 4tmn

18

5tmn

19

4w9l

20

2vkm

23

4gid

24

3prs

33

3uri

36

3ag9

  1. aNumber of torsions