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Some useful (free) sites for CADD:

 

1. Powerful Molecule Viewers

Chimera

Maestro

AGM Viewer

COOT (study the crystal coordinates)

 

2. Ligand Binding Site Finder :

InCaSiteFinder 

Q-SiteFinder

Pocket Finder

 

3. Structure Based Molecule Design

LigBuilder

 

4. Analytical softwares

ZINC

OpenEye

ChemAxon

 

5. Docking Softwares

DOCK

AUTODOCK

Docking Server

 

6. Molecular Mechanics

GROMACS

NAMD

TINKER

 

7. Protein Structure Modelling

Modeller

SWISS-MODEL

Cation-Pi interaction Finder

WhatIf Homology Modelling Web Server

Protein Fold recognition at Phyre

1Dto3D prediction using HMMSTR/Rosetta

MMMTree server

Robetta Protein Server

 

8. Loop Modelling

Modloop

Loopy

Coda loop server

 

9. Protein Electrostatics

Protein Continuum Electrostatics (PCE)

CHARMM-Gui

 

10. Model Check/Verification

Template/Protein Structure Check

2D Graphics check (incl. Ramachandran plots)

 

11. Small Compound Databases

PUBCHEM

ZINC

 

12. Graphical Tools

PMG: the Protein Movie Generator

 

This list is far from being complete. Should your tool be published here as well? Please notify us!