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David R Glowacki

18PUBLICATIONS

116CO-AUTHORS

Computational complexity and computabilityBiomolecular modelling and designSemi- and unsupervised learningProcess control and simulationTransport properties and non-equilibrium processes

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Publications (18)

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|Sep 20, 2024

CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.

Wonmuk Hwang, Steven L Austin, Arnaud Blondel

|Nov 11, 2021

Discovery of SARS-CoV-2 M<sup>pro</sup> peptide inhibitors from modelling substrate and ligand binding.

H T Henry Chan, Marc A Moesser, Rebecca K Walters

|Jul 20, 2021

A community-powered search of machine learning strategy space to find NMR property prediction models.

Lars A Bratholm, Will Gerrard, Brandon Anderson

|Jul 20, 2021

ChemDyME: Kinetically Steered, Automated Mechanism Generation through Combined Molecular Dynamics and Master Equation Calculations.

Robin J Shannon, Emilio Martínez-Núñez, Dmitrii V Shalashilin

|Jun 14, 2021

Transient cavity dynamics and divergence from the Stokes-Einstein equation in organic aerosol.

Young-Chul Song, Stephen Ingram, Robert E Arbon

|Apr 21, 2021

Nonadiabatic Kinetics in the Intermediate Coupling Regime: Comparing Molecular Dynamics to an Energy-Grained Master Equation.

Darya Shchepanovska, Robin J Shannon, Basile F E Curchod

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Frequent Collaborators

3 joint publications

Robin J Shannon

3 joint publications

Adrian J Mulholland

3 joint publications

Lars A Bratholm

2 joint publications

Rebecca K Walters

2 joint publications

Jonathan P Reid

2 joint publications

Stephanie R Hare

2 joint publications

Helen M Deeks

1 joint publications

D P Tew

1 joint publications

Pavel Pokhilko

1 joint publications

Julien Michel

Frequent Collaborators

3 joint publications

Robin J Shannon

3 joint publications

Adrian J Mulholland

3 joint publications

Lars A Bratholm

2 joint publications

Rebecca K Walters

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