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Wrapped targets, program files and documentation can be downloaded from this page

Wrapped targets

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


Program files and documentation

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.