Welcome to Althotas.com, a web-based, virtual laboratory for predicting the biological properties of small molecules and protein/small-molecule interactions. We provide a complete computational environment for predicting ligand interactions using a variety of methods. Our java interface allows you to upload your own ligand datasets, use our public datasets, or draw novel ligands directly. We use two main approaches for predicting protein-small molecule interactions: a knowledge-based approach using Support Vector Machines (SVMs) or de novo prediction using a molecular docking approach.
Once registered and logged in to your virtual laboratory space, you will find our interface offers a simple and intuitive process for completing your in silico experiment. You can select from several different experiment types and proteins, select from one of several public ligands or upload/draw your own, and then run your experiment. Results are returned quickly.
Setting up a binding experiment on Althotas.com requires only three simple steps:
1) Name Your Job
2) Select Your Protein(s) and Experiment type(s)
3) Select/Upload/Draw Ligand(s)
For complete instructions, please see our Tutorial or read our documentation.