Andreas Tillack

6PUBLICATIONS
8CO-AUTHORS
Biomolecular modelling and designComputational chemistryProcedural content generationAutomated software engineeringComputer aided design
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (6)

|Dec 11, 2025
Meeko: Molecule Parametrization and Software Interoperability for Docking and Beyond.

Diogo Santos-Martins, Yiran He, Jerome Eberhardt

|Aug 28, 2023
Reactive Docking: A Computational Method for High-Throughput Virtual Screenings of Reactive Species.

Giulia Bianco, Matthew Holcomb, Diogo Santos-Martins

|Aug 02, 2023
Performance evaluation of flexible macrocycle docking in AutoDock.

Matthew Holcomb, Diogo Santos-Martins, Andreas F Tillack

|Mar 28, 2023
Ringtail: A Python Tool for Efficient Management and Storage of Virtual Screening Results.

Althea T Hansel-Harris, Diogo Santos-Martins, Niccolò Bruciaferri

|Jul 19, 2021
AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings.

Jerome Eberhardt, Diogo Santos-Martins, Andreas F Tillack

|Jan 06, 2021
Accelerating AutoDock4 with GPUs and Gradient-Based Local Search.

Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas F Tillack

Pageof 1

Frequent Collaborators

6 joint publications

Stefano Forli

5 joint publications

Diogo Santos-Martins

4 joint publications

Matthew Holcomb

3 joint publications

Althea T Hansel-Harris