Difference between revisions of "2024 DOCK tutorial 2 with PDBID 1NDV"

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=== Protein ===
 
=== Protein ===
 
=== Ligand ===
 
=== Ligand ===
 +
== Surface Spheres ==
 +
== Gridbox ==
 +
== Energy Minimization ==
 +
== Footprint ==
 +
== Rigid Docking ==
 +
== Fixed Anchor Docking ==
 +
== Flex Docking ==
 +
== Virtual Screening ==
 +
== Cartesian Minimization ==
 +
== reScore ==

Revision as of 15:34, 14 February 2024

Introduction

File Set-up

Preparing Structure Files

Protein

Ligand

Surface Spheres

Gridbox

Energy Minimization

Footprint

Rigid Docking

Fixed Anchor Docking

Flex Docking

Virtual Screening

Cartesian Minimization

reScore