David Rogers

9PUBLICATIONS
31CO-AUTHORS
Biomolecular modelling and designElectrochemical energy storage and conversionPhysical properties of materialsPolymers and plasticsCharacterisation of biological macromolecules
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Publications (9)

|Aug 12, 2025
Challenges and Advances in the Simulation of Targeted Covalent Inhibitors Using Quantum Computing.

Shayantan Chaudhuri, Bang C Huynh, Ross Amory

|Sep 12, 2024
Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors.

Shayantan Chaudhuri, David M Rogers, Christopher J Hayes

|Jul 22, 2024
An Improved Diabatization Scheme for Computing the Electronic Circular Dichroism of Proteins.

David M Rogers, Hainam Do, Jonathan D Hirst

|Jul 01, 2024
Modeling interactions between rubidium atom and magnetometer cell wall molecules.

Grégoire David, Andrew M Wibowo-Teale, David M Rogers

|Apr 11, 2024
A facile one step route that introduces functionality to polymer powders for laser sintering.

Eduards Krumins, Liam A Crawford, David M Rogers

|Nov 24, 2023
Theoretical analysis of divalent cation effects on aptamer recognition of neurotransmitter targets.

Ali Douaki, Annina Stuber, Julian Hengsteler

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Frequent Collaborators

6 joint publications

Jonathan D Hirst

2 joint publications

Shayantan Chaudhuri

1 joint publications

Francesco Segatta

1 joint publications

Artur Nenov