Regbio Virtual Drug Screening Unit
We utilize PaDel-ADV along with Autodock Vina to perform automated docking of druggable compounds that have been filtered according to Lipinski rules.
In Silico Drug Screening Tools
Autodock Vina
MGL Tools
List of Modeling Tools
SWISS Model
Proteinmodeling
I-TASSER
ZINC Database
PaDel-ADV
Our systems are based on Ubuntu 16.04 for faster and optimized molecular docking.
To install, you could download following example docking (update needed) folder that we use.
Small Molecule Filter
ZINC small molecules comes in packages and often requires filtering and preparing sdf packages of selected small molecules. We have solved this issue with a python command. To install small molecule filter and run you need to download Small Molecule Filter
For more details email fatihkocabas@gmail.com
In Silico Drug Screening Tools
Autodock Vina
MGL Tools
List of Modeling Tools
SWISS Model
Proteinmodeling
I-TASSER
ZINC Database
PaDel-ADV
Our systems are based on Ubuntu 16.04 for faster and optimized molecular docking.
To install, you could download following example docking (update needed) folder that we use.
Small Molecule Filter
ZINC small molecules comes in packages and often requires filtering and preparing sdf packages of selected small molecules. We have solved this issue with a python command. To install small molecule filter and run you need to download Small Molecule Filter
For more details email fatihkocabas@gmail.com
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