The main purpose of this basic tutorial is to present the redocking process of a single ligand into the binding site of a protein to compare the predicted ...

14 июл. 2013 г. · The major steps of the ligand and protein preparation are available on the DockThor Portal, being possible to change the protonation states of ...

Продолжительность: 10:34
Опубликовано: 17 янв. 2017 г.

A free web server for protein-ligand docking. Add missing hydrogen atoms, complete side chains, change protonation states. Simple and easy!

Продолжительность: 53:22
Опубликовано: 6 дек. 2020 г.

14 июл. 2013 г. · O docking (de um ligante da protease do HIV) será realizada através do webserver do programa DockThor: http://dockthor.lncc.br/.

Продолжительность: 20:11
Опубликовано: 14 июн. 2021 г.

The document discusses the process of preparing files for autodock molecular docking simulations. It requires 4 input files.

10 мар. 2021 г. · In this work, we present the developments implemented in the DockThor-VS web server to provide a virtual screening (VS) platform with curated ...

The research group developed new empirical scoring functions to predict protein-ligand binding affinities that demonstrated to be competitive with the best ...