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ModelingData

Docking

downloadaszip
readme.txt
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:03-07:00

Top_AutoDock_Poses
Jul 7, 2020
Author: Dennis Della Corte
10 Top poses for 3 Ligands and 2 Receptors

A219L-Docking

downloadaszip
6XTV_A219L_dock.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:02-07:00

arg_6XTV.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:02-07:00

vina_6XTV_A219L_arginine.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:02-07:00

vina_6XTV_A219L_histidine.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:02-07:00

vina_6XTV_A219L_lysine.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:02-07:00

LYSG-Docking

downloadaszip
6XTV_dock.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:02-07:00

arg_6XTV.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:02-07:00

LYSG_A219L_open.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:02-07:00

vina_6XTV_arginine.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:03-07:00

vina_6XTV_histidine.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:03-07:00

vina_6XTV_lysine.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:03-07:00

runscripts

autodock

downloadaszip
run_sbatch.sh
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:03-07:00

run_vina.sh
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:03-07:00

vina_config
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:03-07:00

ligands

downloadaszip
arginine.pdbqt
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:03-07:00

histidine.pdbqt
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:03-07:00

lysine.pdbqt
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:03-07:00

README
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:04-07:00

receptors

downloadaszip
6XTV_A219L_dock.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:04-07:00

6XTV_A219L_dock.pdbqt
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:04-07:00

6XTV_dock.pdb
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:04-07:00

6XTV_dock.pdbqt
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:04-07:00

README
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:04-07:00

MD

downloadaszip
readme.txt
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:20-07:00

Parametrizations

downloadaszip
.DS_Store
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:19-07:00

ARG

downloadaszip
ARG_GMX.gro
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:18-07:00

ARG_GMX.top
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:19-07:00

.DS_Store
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:19-07:00

ARG_rotated

downloadaszip
ARG_GMX.gro
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:19-07:00

ARG_GMX.top
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:19-07:00

.DS_Store
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:19-07:00

HIS

downloadaszip
.DS_Store
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:19-07:00

HIS_GMX.gro
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:19-07:00

HIS_GMX.top
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:19-07:00

HIS_A219L

downloadaszip
.DS_Store
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:19-07:00

HIS_GMX.gro
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:20-07:00

HIS_GMX.top
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:20-07:00

LYS

downloadaszip
.DS_Store
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:20-07:00

LYS_GMX.gro
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:20-07:00

LYS_GMX.top
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:20-07:00

LYS_A219L

downloadaszip
.DS_Store
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:20-07:00

LIG_GMX.gro
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:20-07:00

LIG_GMX.top
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:20-07:00

tpr_files

downloadaszip
A219L_ARG_rotated.tpr
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:20-07:00

A219L_ARG.tpr
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:21-07:00

A219L_HIS.tpr
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:21-07:00

A219L_LYS.tpr
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:21-07:00

A219L_open.tpr
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:21-07:00

A219L.tpr
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:21-07:00

LYSG_ARG_rotated.tpr
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:21-07:00

LYSG_ARG.tpr
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:21-07:00

LYSG_HIS.tpr
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:21-07:00

LYSG_LYS.tpr
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:21-07:00

LYSG.tpr
Jul 7, 2020
Author: Dennis Della Corte
Uploaded by ZIP:2020-07-06T10:19:21-07:00

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Last updated
Jul 13, 2020

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