David K Chalmers

26PUBLICATIONS
58CO-AUTHORS
Biomolecular modelling and designProteins and peptidesNeural networksCharacterisation of biological macromoleculesBio-fluids
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Publications (26)

|Dec 22, 2025
Contact Parallel Cascade Selection Molecular Dynamics (cPaCS-MD) for Accurate In Silico Prediction of Peptide Binding Free Energy.

Viktor Prypoten, Raymond S Norton, David K Chalmers

|Jan 15, 2025
Re-evaluation of Cyclic Peptide Binding to Neurotensin Receptor 1 by Shifting the Peptide Register during Synthesis.

Lazarus Andrew de Zhang, Mengjie Liu, Daniel J Scott

|Nov 21, 2024
Engineering of Novel Analogues That Are More Receptor-Selective and Potent than the Native Hormone, Insulin-like Peptide 5 (INSL5).

Hongkang Wu, Herodion A Hartono, Thomas N G Handley

|Oct 02, 2024
Graph Neural Network-Based Molecular Property Prediction with Patch Aggregation.

Teng Jiek See, Daokun Zhang, Mario Boley

|Jan 18, 2024
Identification of a Novel Subtype-Selective α1B-Adrenoceptor Antagonist.

Alaa Abdul-Ridha, Lazarus A de Zhang, Ashenafi Haileyesus Betrie

|May 17, 2023
Molecular Dynamics Simulation Studies of Bile, Bile Salts, Lipid-Based Drug Formulations, and mRNA-Lipid Nanoparticles: A Review.

Amali G Guruge, Dallas B Warren, Colin W Pouton

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Frequent Collaborators

7 joint publications

Colin W Pouton

6 joint publications

Raymond S Norton

5 joint publications

Philip E Thompson

4 joint publications

Christopher J H Porter