Wrapped targets, program files and documentation can be downloaded from this page
Target |
Ligand |
Wrapped target |
Download PDB |
bovine trypsin |
benzamidine (trial a) |
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1a_3ptb_12_wrp_trm.pdb |
bovine trypsin |
benzamidine (trial b) |
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1b_3ptb_12_wrp_trm.pdb |
bovine trypsin |
benzamidine (trial c) |
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1c_3ptb_12_wrp_trm.pdb |
farnesyl pyrophosphate synthase | (6-methoxy-1-benzofuran-3-yl) acetic acid (MS0) | ![]() |
2_3n3l_33_wrp_trm.pdb |
mitogen activated protein kinase (MAPK) | 4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridine (GG5) | ![]() |
3_3hvc_25_wrp_trm.pdb |
carboxy-peptidase | GY | ![]() |
4_3cpa_11_wrp_trm.pdb |
haematopoetic cell kinase (HCK) | 1-tert-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine (PP1) | ![]() |
5_1qcf_16_wrp_trm.pdb |
pentaerythritol tetranitrate reductase | prednisone | ![]() |
6_1h61_14_wrp_trm.pdb |
mitogen activated protein kinase (MAPK) | [5-amino-1-(4- Fluorophenyl)-1H-Pyrazol-4- yl] [3-(piperidin-4-yloxy) phenyl]methanone | ![]() |
7_2bal_11_wrp_trm.pdb |
thymidylate synthase | ralitrexed | ![]() |
8_1hvy_9_wrp_trm.pdb |
tyrosine-protein kinase Src | dasatinib | ![]() |
9_3g5d_10_wrp_trm.pdb |
PDZ-domain | KQTSV | ![]() |
10_1be9_9_wrp_trm.pdb |
Version |
User's Manual |
Source Code |
Notes on modifications |
1.1 |
manual.pdf | wns.tgz | An open source Gromacs program is used for calculation of free target surface. |
1.0 |
manual.pdf | wns.tgz | None. |