David K. Chalmers

12 papers B 1Journal 11
YearRankTypeTitle / Venue / Authors
2026 J jnl
Contact Parallel Cascade Selection Molecular Dynamics (cPaCS-MD) for Accurate In Silico Prediction of Peptide Binding Free Energy.
J. Chem. Inf. Model.
Viktor Prypoten, Raymond S. Norton, David K. Chalmers
2025 J jnl
Layer-to-Layer Knowledge Mixing in Graph Neural Network for Chemical Property Prediction.
CoRR
Teng Jiek See, Daokun Zhang, Mario Boley, David K. Chalmers
2023 J jnl
Interaction of the Inhibitory Peptides ShK and HmK with the Voltage-Gated Potassium Channel K
J. Chem. Inf. Model.
Karoline Sanches, Viktor Prypoten, K. George Chandy, David K. Chalmers, Raymond S. Norton
2022 J jnl
Membrane Permeating Macrocycles: Design Guidelines from Machine Learning.
J. Chem. Inf. Model.
Billy J. Williams-Noonan, Melissa N. Speer, Tu C. Le, Maiada M. Sadek, Philip E. Thompson, Raymond S. Norton, Elizabeth Yuriev, Nicholas Barlow, David K. Chalmers, Irene Yarovsky
2016 J jnl
Ligand Binding Pathways of Clozapine and Haloperidol in the Dopamine D
J. Chem. Inf. Model.
Trayder Thomas, Yu Fang, Elizabeth Yuriev, David K. Chalmers
2014 J jnl
Homology Modeling of Human Muscarinic Acetylcholine Receptors.
J. Chem. Inf. Model.
Trayder Thomas, Kimberley C. McLean, Fiona M. McRobb, David T. Manallack, David K. Chalmers, Elizabeth Yuriev
2012 J jnl
Molecular modeling of lipid drug formulations.
J. Cheminformatics
Woldeamanuel A. Birru, Dallas B. Warren, Christopher J. H. Porter, Colin W. Pouton, David K. Chalmers
2012 B conf
Protein structure prediction based on optimal hydrophobic core formation.
IEEE Congress on Evolutionary Computation
Rumana Nazmul, Madhu Chetty, Ram Samudrala, David K. Chalmers
2012 J jnl
Virtual screening using a conformationally flexible target protein: models for ligand binding to p38α MAPK.
J. Comput. Aided Mol. Des.
Natalie B. Vinh, Jamie S. Simpson, Peter J. Scammells, David K. Chalmers
2010 J jnl
Homology Modeling and Docking Evaluation of Aminergic G Protein-Coupled Receptors.
J. Chem. Inf. Model.
Fiona M. McRobb, Ben Capuano, Ian T. Crosby, David K. Chalmers, Elizabeth Yuriev
2005 J jnl
A Three-dimensional Model of the Human Immunodeficiency Virus Type 1 Integration Complex.
J. Comput. Aided Mol. Des.
Jerome Wielens, Ian T. Crosby, David K. Chalmers
1992 J jnl
Models for the binding of amiodarone to the thyroid hormone receptor.
J. Comput. Aided Mol. Des.
David K. Chalmers, Sharon L. A. Munro, Magdy N. Iskander, David J. Craik