Wrapped targets, program files and documentation can be downloaded from this page
Target |
Ligand |
Wrapped target |
Download PDB |
bovine trypsin |
benzamidine (trial a) |
1a_3ptb_12_wrp_trm.pdb | |
bovine trypsin |
benzamidine (trial b) |
1b_3ptb_12_wrp_trm.pdb | |
bovine trypsin |
benzamidine (trial c) |
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. |