Repository files navigation README Autodock-Vina-with-colab-Tutorial some important works have been borrowed from https://github.com/RyanZR/labodock.git Pretty easy application with detail explanations of each step. WatVina: inclusion of water during docking with vina About...
AutoDock Vina, a new program for molecular docking and virtual screening, is presented. AutoDock Vina achieves an approximately two orders of magnitude spe... O Trott,AJ Olson - 《Journal of Computational Chemistry》 被引量: 2081发表: 2009年 AutoDock Vina: Improving the speed and accuracy of...
AutoDock(英)
AutoDock软件使用方法. 1st EELA-2 Grid School 2-15 November Jérôme Verleyen Juan Manuel Hurtado Rámirez Enrique Merino Pérez META-DOCK. Autodock tutorial VINA with UCSF Chimera José R. Valverde CNB/CSIC © José R. Valverde, 2014 CC-BY-NC-SA. Pharmacologically Advantageous AutoDock Inhib...
vina --weight_hydrogen -1.2 ... doubles the strenth of all hydrogen bonds. Functionality that would allow the users to create new atom and pseudo-atom types, and specify their own interaction functions is planned for the future. This should make it easier to adapt the scoring function to sp...
For this tutorial, all the basic material are provided and can be found in the ``AutoDock-Vina/example/docking_with_macrocycles/data`` directory (or on `GitHub <https://github.com/ccsb-scripps/AutoDock-Vina/tree/develop/example/docking_with_macrocycles>`_). If you ever feel lost, you ...
4、.edu/tutorial.html,Vina Video Tutorial,如何安装AutoDock, AutoGrid和ADT于Windows? 两种方式: 新手:Windows 测试:Start-Run. -cmd.exe :autodock4 安装Cygwin libraries: 一个Linux-like环境(可自行练习). . 安装指令: instructions for installing and setting up Cygwin 相关文档: documentation about Cygwi...
vina --weight_hydrogen -1.2 ... doubles the strenth of all hydrogen bonds. Functionality that would allow the users to create new atom and pseudo-atom types, and specify their own interaction functions is planned for the future. This should make it easier to adapt the scoring function to sp...
Python tutorial 1. making PDBQT strings for Vina or for AutoDock-GPU from meeko import MoleculePreparation from meeko import PDBQTWriterLegacy from rdkit import Chem input_molecule_file = "example/BACE_macrocycle/BACE_4.sdf" # there is one molecule in this SD file, this loop iterates just ...
中文版说明书 (Tutorial, in Chinese) 下载地址 GetBox-PyMOL-Plugin.v20180204.zip 视频教程 教程1 (19秒) 教程2 (从5:08开始)[内容为“LeDock,AutoDock Vina分子对接与结果分析显示(PyMOL)教程”,清晰版百度盘下载地址:https://pan.baidu.com/s/1gGVlo0tkYShVXgJoe8FC6A,密码:ghc6]. ...