Bryce K Allen

7PUBLICATIONS
38CO-AUTHORS
Formal methods for softwareCheminformatics and quantitative structure-activity relationshipsComputational chemistryChemical and thermal processes in energy and combustionBiomolecular modelling and design
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Publications (7)

|Aug 18, 2025
alchemlyb: the simple alchemistry library.

Zhiyi Wu, David L Dotson, Irfan Alibay

|Dec 06, 2021
Precise Binding Free Energy Calculations for Multiple Molecules Using an Optimal Measurement Network of Pairwise Differences.

Pengfei Li, Zhijie Li, Yu Wang

|Aug 30, 2021
Best Practices for Alchemical Free Energy Calculations [Article v1.0].

Antonia S J S Mey, Bryce K Allen, Hannah E Bruce Macdonald

|Sep 16, 2020
Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery.

Tai-Sung Lee, Bryce K Allen, Timothy J Giese

|Jul 17, 2020
Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials.

Tai-Sung Lee, Zhixiong Lin, Bryce K Allen

|Jun 17, 2020
Rigorous Free Energy Simulations in Virtual Screening.

Zoe Cournia, Bryce K Allen, Thijs Beuming

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Frequent Collaborators

5 joint publications

Woody Sherman

4 joint publications

Brian K Radak

3 joint publications

Huafeng Xu

2 joint publications

Zoe Cournia