Chimera dock
Using UCSF Chimera, prepare the structure of the receptor for docking. This involves deleting ligand and solvent molecules, elimination alternate locations of ... ,adding hydrogens; assigning partial charges; writing files in Mol2 format. Many of these steps can be performed separately in Chimera, but Dock Prep unites them ...
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 Chimera dock 相關參考資料
AutoDock Vina - UCSF
Chimera can still be used to view the output. Other limitations are given below. The AutoDock Vina tool allows running ligand-receptor docking calculations with ... https://www.cgl.ucsf.edu Computer-Aided Drug Design Tutorials: 4.1. Docking with ...
Using UCSF Chimera, prepare the structure of the receptor for docking. This involves deleting ligand and solvent molecules, elimination alternate locations of ... https://people.chem.ucsb.edu Dock Prep
adding hydrogens; assigning partial charges; writing files in Mol2 format. Many of these steps can be performed separately in Chimera, but Dock Prep unites them ... https://www.cgl.ucsf.edu Tutorial: Prepping Molecules - UCSF DOCK
This tutorial uses the program Chimera (Snapshot Release 1.2309), ... For assigning atom types and partial charges, Dock uses Sybyl atom ... http://dock.compbio.ucsf.edu ViewDock - UCSF RBVI
ViewDock facilitates the interactive analysis of receptor-ligand docking results. ... charge and autodockType); see also the Chimera AutoDock Vina interface ... https://www.cgl.ucsf.edu ViewDock Tutorial
Chimera Tutorials Index. ViewDock Tutorial. Given the structures of ligand and receptor molecules, docking programs calculate possible binding modes. https://www.cgl.ucsf.edu |