Publications by authors named "M J Cawkwell"

Claim this Profile
C
Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis.
Rae A Corrigan Grove, Michael A Moxley, Christian F A Negre, Marc J Cawkwell, Anders M N Niklasson

J Chem Inf Model· October 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
MLTB: Enhancing Transferability and Extensibility of Density Functional Tight-Binding Theory with Many-body Interaction Corrections.
Daniel J Burrill, Chang Liu, Michael G Taylor, Marc J Cawkwell, Danny Perez

J Chem Theory Comput· February 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
U
Understanding Trigger Linkage Dynamics in Energetic Materials Using Mixed Picramide Nitrate Ester Explosives.
Nicholas Lease, M J Cawkwell, Kyle D Spielvogel, Virginia W Manner

J Phys Chem Lett· January 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Transport Properties of Liquid Pentaerythritol Tetranitrate (PETN) from Molecular Dynamics Simulations.
Romain Perriot, Marc J Cawkwell, Virginia W Manner

J Phys Chem B· November 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Machine Learning Models for High Explosive Crystal Density and Performance.
Jack V Davis, Frank W Marrs, Marc J Cawkwell, Virginia W Manner

Chem Mater· November 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis