Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

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
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (6)

Sort by Publication Date:
|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

1 joint publications

Michel F Sanner

1 joint publications

Niccolò Bruciaferri

1 joint publications

Manuel A Llanos

1 joint publications

Ishan Taneja

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

Top Related Videos

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on : Jun 20, 2025

1.1K
See more related videos

Top Related Videos

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on : Jun 20, 2025

1.1K
See more related videos