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)

|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 Mpro 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