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Luke Warrensford

3PUBLICATIONS
61CO-AUTHORS
Computational complexity and computabilityCharacterisation of biological macromoleculesStatistical mechanics in chemistry
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Publications (3)

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|Sep 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.

Wonmuk Hwang, Steven L Austin, Arnaud Blondel

|May 13, 2022
Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral <i>Duva florida</i>, Displays Inhibition of the SARS-CoV-2 3CLpro Enzyme.

Nicole E Avalon, Jordan Nafie, Carolina De Marco Verissimo

|Feb 17, 2019
The Good, the Bad, and the Ugly: "HiPen", a New Dataset for Validating (S)QM/MM Free Energy Simulations.

Fiona L Kearns, Luke Warrensford, Stefan Boresch

Pageof 1

Frequent Collaborators

3 joint publications

H Lee Woodcock

2 joint publications

Stefan Boresch

2 joint publications

Fiona L Kearns

1 joint publications

Nicole E Avalon

1 joint publications

A Louise Allcock

1 joint publications

Wonmuk Hwang

1 joint publications

Arnaud Blondel

1 joint publications

Amedeo Caflisch

1 joint publications

Xi Cheng

1 joint publications

Yeol Kyo Choi

Frequent Collaborators

3 joint publications

H Lee Woodcock

2 joint publications

Stefan Boresch

2 joint publications

Fiona L Kearns

1 joint publications

Nicole E Avalon

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