Andreas Vitalis

According to our database, Andreas Vitalis authored at least 7 papers between 2009 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2025

Parallelized Tools for the Preparation and Curation of Large Libraries for Virtual Screening.

Andreas Vitalis, David Parker, Fabian Radler, Pablo A. Vargas-Rosales, Yang Zhang, Jean-Rémy Marchand, Amedeo Caflisch

J. Comput. Chem., March, 2025

Benchmarking the robustness of the correct identification of flexible 3D objects using common machine learning models.

Yang Zhang, Andreas Vitalis

Patterns, 2025

A FAIR-Compliant Management Solution for Molecular Simulation Trajectories.

Andreas Vitalis, Steffen Winkler, Yang Zhang, Julian Widmer, Amedeo Caflisch

J. Chem. Inf. Model., 2025

2020

An ABSINTH-Based Protocol for Predicting Binding Affinities between Proteins and Small Molecules.

Jean-Rémy Marchand, Tim Knehans, Amedeo Caflisch, Andreas Vitalis

J. Chem. Inf. Model., 2020

An Improved and Parallel Version of a Scalable Algorithm for Analyzing Time Series Data.

Andreas Vitalis

CoRR, 2020

2013

A scalable algorithm to order and annotate continuous observations reveals the metastable states visited by dynamical systems.

Nicolas Blöchliger, Andreas Vitalis, Amedeo Caflisch

Comput. Phys. Commun., 2013

2009

ABSINTH: A new continuum solvation model for simulations of polypeptides in aqueous solutions.

Andreas Vitalis, Rohit V. Pappu

J. Comput. Chem., 2009