Charles A. Laughton

12 papers Journal 11Unranked 1
YearRankTypeTitle / Venue / Authors
2024 J jnl
Optimizing Excipient Properties to Prevent Aggregation in Biopharmaceutical Formulations.
J. Chem. Inf. Model.
Toby E. King, James R. Humphrey, Charles A. Laughton, Neil R. Thomas, Jonathan D. Hirst
2019 J jnl
BioSimSpace: An interoperable Python framework for biomolecular simulation.
J. Open Source Softw.
Lester O. Hedges, Antonia S. J. S. Mey, Charles A. Laughton, Francesco L. Gervasio, Adrian J. Mulholland, Christopher J. Woods, Julien Michel
2019 J jnl
Tios: The Internet of Simulations. Turning Molecular Dynamics into a Data Streaming Web Application.
J. Chem. Inf. Model.
Athina Meletiou, James Gebbie-Rayet, Charles A. Laughton
2016 J jnl
ExTASY: Scalable and Flexible Coupling of MD Simulations and Advanced Sampling Techniques.
CoRR
Vivekanandan Balasubramanian, Iain Bethune, Ardita Shkurti, Elena Breitmoser, Eugen Hruska, Cecilia Clementi, Charles A. Laughton, Shantenu Jha
2016 — conf
ExTASY: Scalable and flexible coupling of MD simulations and advanced sampling techniques.
eScience
Vivekanandan Balasubramanian, Iain Bethune, Ardita Shkurti, Elena Breitmoser, Eugen Hruska, Cecilia Clementi, Charles A. Laughton, Shantenu Jha
2016 J jnl
pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data.
SoftwareX
Ardita Shkurti, Josep Ramón Goñi, Pau Andrio, Elena Breitmoser, Iain Bethune, Modesto Orozco, Charles A. Laughton
2014 J jnl
Molecular Dynamics Simulations of the Adenosine A2a Receptor in POPC and POPE Lipid Bilayers: Effects of Membrane on Protein Behavior.
J. Chem. Inf. Model.
Hui Wen Ng, Charles A. Laughton, Stephen W. Doughty
2013 J jnl
Molecular Dynamics Simulations of the Adenosine A2a Receptor: Structural Stability, Sampling, and Convergence.
J. Chem. Inf. Model.
Hui Wen Ng, Charles A. Laughton, Stephen W. Doughty
2012 J jnl
Mapping application performance to HPC architecture.
Comput. Phys. Commun.
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
2008 J jnl
Active Site Pressurization: A New Tool for Structure-Guided Drug Design and Other Studies of Protein Flexibility.
J. Chem. Inf. Model.
Ian M. Withers, Michael P. Mazanetz, Hao Wang, Peter M. Fischer, Charles A. Laughton
2005 J jnl
An attempt to define allergen-specific molecular surface features: a bioinformatic approach.
Bioinform.
Ruta Furmonaviciene, Brian J. Sutton, Fabian Glaser, Charles A. Laughton, Nick Jones, Herb F. Sewell, Farouk Shakib
2005 J jnl
Force field validation for nucleic acid simulations: Comparing energies and dynamics of a DNA dodecamer.
J. Comput. Chem.
Shantenu Jha, Peter V. Coveney, Charles A. Laughton