Orbital

Introduction

Simply provide the ligand (in smile format) and target protein, docking is as easy as “one click” as demonstrated in the movie. Typical ligand preparation and target grid definition, hydration and other parameters setting steps are no longer needed, because the traditional force field based energy equations based method was abandoned in our approach. Instead, a dynamic deep neural network framework performs the docking task with unprecedented accuracy and speed. All movies were shown in real time ! Average running time for drug docking case using “dock all” mode scanning for all potential binding pockets of target protein on a standard laptop is within 1 minute.


Case Study

Conformational errors of deposited high resolution crystal structure of chemical compound identified by Accutar docking platform.

Docking Tutorials

Ensemble docking of Palbociclib using all similar structures starting from apo CDK structure

Docking Tutorials

Enquiry

Interested in getting a trial version or a demo in your firm ?
Please send enquiry to Bd@accutarbio.com

Data Evaluation

Orbital docking to predict holo-structure from apo structure
Orbital Docking Evaluation