Charles A. Laughton

According to our database, Charles A. Laughton authored at least 11 papers between 2005 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

Optimizing Excipient Properties to Prevent Aggregation in Biopharmaceutical Formulations.

Toby E. King, James R. Humphrey, Charles A. Laughton, Neil R. Thomas, Jonathan D. Hirst

J. Chem. Inf. Model., January, 2024

2019

BioSimSpace: An interoperable Python framework for biomolecular simulation.

Lester O. Hedges, Antonia S. J. S. Mey, Charles A. Laughton, Francesco L. Gervasio, Adrian J. Mulholland, Christopher J. Woods, Julien Michel

J. Open Source Softw., 2019

Tios: The Internet of Simulations. Turning Molecular Dynamics into a Data Streaming Web Application.

Athina Meletiou, James Gebbie-Rayet, Charles A. Laughton

J. Chem. Inf. Model., 2019

2016

pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data.

Ardita Shkurti, Josep Ramón Goñi, Pau Andrio, Elena Breitmoser, Iain Bethune, Modesto Orozco, Charles A. Laughton

SoftwareX, 2016

ExTASY: Scalable and flexible coupling of MD simulations and advanced sampling techniques.

Vivekanandan Balasubramanian, Iain Bethune, Ardita Shkurti, Elena Breitmoser, Eugen Hruska, Cecilia Clementi, Charles A. Laughton, Shantenu Jha

Proceedings of the 12th IEEE International Conference on e-Science, 2016

2014

Molecular Dynamics Simulations of the Adenosine A2a Receptor in POPC and POPE Lipid Bilayers: Effects of Membrane on Protein Behavior.

Hui Wen Ng, Charles A. Laughton, Stephen W. Doughty

J. Chem. Inf. Model., 2014

2013

Molecular Dynamics Simulations of the Adenosine A2a Receptor: Structural Stability, Sampling, and Convergence.

Hui Wen Ng, Charles A. Laughton, Stephen W. Doughty

J. Chem. Inf. Model., 2013

2012

Mapping application performance to HPC architecture.

Alan Gray, Iain Bethune, Richard D. Kenway, Lorna Smith, Martyn F. Guest, Christine A. Kitchen, Paul Calleja, Aleksander Korzynski, Stuart Rankin, Mike Ashworth, Andrew Porter, Ilian T. Todorov, Martin Plummer, Emma Jones, Lois Steenman-Clark, Ben Ralston, Charles A. Laughton

Comput. Phys. Commun., 2012

2008

Active Site Pressurization: A New Tool for Structure-Guided Drug Design and Other Studies of Protein Flexibility.

Ian M. Withers, Michael P. Mazanetz, Hao Wang, Peter M. Fischer, Charles A. Laughton

J. Chem. Inf. Model., 2008

2005

Force field validation for nucleic acid simulations: Comparing energies and dynamics of a DNA dodecamer.

Shantenu Jha, Peter V. Coveney, Charles A. Laughton

J. Comput. Chem., 2005

An attempt to define allergen-specific molecular surface features: a bioinformatic approach.

Ruta Furmonaviciene, Brian J. Sutton, Fabian Glaser, Charles A. Laughton, Nick Jones, Herb F. Sewell, Farouk Shakib

Bioinform., 2005