David F. Hahn

According to our database, David F. Hahn authored at least 6 papers between 2021 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Current State of Open Source Force Fields in Protein-Ligand Binding Affinity Predictions.

David F. Hahn, Vytautas Gapsys, Bert L. de Groot, David L. Mobley, Gary Tresadern

J. Chem. Inf. Model., 2024

2023

To Design Scalable Free Energy Perturbation Networks, Optimal Is Not Enough.

Mary Pitman, David F. Hahn, Gary Tresadern, David L. Mobley

J. Chem. Inf. Model., March, 2023

2022

Pre-Exascale Computing of Protein-Ligand Binding Free Energies with Open Source Software for Drug Design.

Vytautas Gapsys, David F. Hahn, Gary Tresadern, David L. Mobley, Markus Rampp, Bert L. de Groot

J. Chem. Inf. Model., 2022

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field.

Lorenzo D'amore, David F. Hahn, David L. Dotson, Joshua T. Horton, Jamshed Anwar, Ian Craig, Thomas Fox, Alberto Gobbi, Sirish Kaushik Lakkaraju, Xavier Lucas, Katharina Meier, David L. Mobley, Arjun Narayanan, Christina E. M. Schindler, William C. Swope, Pieter J. in 't Veld, Jeffrey Wagner, Bai Xue, Gary Tresadern

J. Chem. Inf. Model., 2022

2021

Ensembler: A Simple Package for Fast Prototyping and Teaching Molecular Simulations.

Benjamin Ries, Stephanie M. Linker, David F. Hahn, Gerhard König, Sereina Riniker

J. Chem. Inf. Model., 2021

A Benchmark of Electrostatic Method Performance in Relative Binding Free Energy Calculations.

Yunhui Ge, David F. Hahn, David L. Mobley

J. Chem. Inf. Model., 2021