David F Hahn
12PUBLICATIONS
38CO-AUTHORS
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Publications (12)
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|Jun 19, 2024
Current State of Open Source Force Fields in Protein-Ligand Binding Affinity Predictions.David F Hahn, Vytautas Gapsys, Bert L de Groot
|Jul 24, 2023
Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach.Hannah M Baumann, Eric Dybeck, Christopher L McClendon
|May 11, 2023
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field.Simon Boothroyd, Pavan Kumar Behara, Owen C Madin
|Mar 06, 2023
To Design Scalable Free Energy Perturbation Networks, Optimal Is Not Enough.Mary Pitman, David F Hahn, Gary Tresadern
|Nov 16, 2022
Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarks [Article v0.1].David F Hahn, Christopher I Bayly, Hannah E Bruce Macdonald
|Sep 22, 2021
Development and Benchmarking of Open Force Field v1.0.0-the Parsley Small-Molecule Force Field.Yudong Qiu, Daniel G A Smith, Simon Boothroyd
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Frequent Collaborators
8 joint publications
David L Mobley
7 joint publications
Gary Tresadern
4 joint publications
Michael R Shirts
4 joint publications
John D Chodera
2 joint publications
Philippe H Hünenberger
2 joint publications
Sereina Riniker
2 joint publications
Michael K Gilson
2 joint publications
Victoria T Lim
2 joint publications
Antonia S J S Mey
2 joint publications
Hannah E Bruce Macdonald
