Hannes H Loeffler

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 2

Top Topics

Molecular Dynamics Simulations

Protein Protein

Virtual Reality

Top Venues

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Hannes H Loeffler, Shunzhou Wan, Marco Klähn, Agastya P Bhati, Peter V Coveney
Optimal Molecular Design: Generative Active Learning Combining REINVENT with Precise Binding Free Energy Ranking Simulations. Journal of chemical theory and computation (2024)
Hannes H Loeffler, Stefano Bosisio, Guilherme Duarte Ramos Matos, Donghyuk Suh, Benoı T Roux, David L Mobley, Julien Michel
Reproducibility of Free Energy Calculations across Different Molecular Simulation Software Packages. Journal of chemical theory and computation 14 (11) (2018)