Daniel J. Price

According to our database, Daniel J. Price authored at least 11 papers between 2001 and 2024.

Collaborative distances:

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

2024

A call for an industry-led initiative to critically assess machine learning for real-world drug discovery.

Cas Wognum, Jeremy R. Ash, Matteo Aldeghi, Raquel Rodríguez-Pérez, Cheng Fang, Alan C. Cheng, Daniel J. Price, Djork-Arné Clevert, Ola Engkvist, W. Patrick Walters

Nat. Mac. Intell., 2024

2016

Constrained hyperbolic divergence cleaning in smoothed particle magnetohydrodynamics with variable cleaning speeds.

Terrence S. Tricco, Daniel J. Price, Matthew R. Bate

J. Comput. Phys., 2016

2012

Constrained hyperbolic divergence cleaning for smoothed particle magnetohydrodynamics.

Terrence S. Tricco, Daniel J. Price

J. Comput. Phys., 2012

Smoothed particle hydrodynamics and magnetohydrodynamics.

Daniel J. Price

J. Comput. Phys., 2012

MATCH: An atom-typing toolset for molecular mechanics force fields.

Joseph D. Yesselman, Daniel J. Price, Jennifer L. Knight, Charles L. Brooks III

J. Comput. Chem., 2012

2008

Modelling discontinuities and Kelvin-Helmholtz instabilities in SPH.

Daniel J. Price

J. Comput. Phys., 2008

2005

Detailed considerations for a balanced and broadly applicable force field: A study of substituted benzenes modeled with OPLS-AA.

Daniel J. Price, Charles L. Brooks III

J. Comput. Chem., 2005

Study of a highly accurate and fast protein-ligand docking method based on molecular dynamics.

Michela Taufer, Michael F. Crowley, Daniel J. Price, Andrew A. Chien, Charles L. Brooks III

Concurr. Comput. Pract. Exp., 2005

2004

Study of a Highly Accurate and Fast Protein-Ligand Docking Algorithm Based on Molecular Dynamics.

Michela Taufer, Michael F. Crowley, Daniel J. Price, Andrew A. Chien, Charles L. Brooks III

Proceedings of the 18th International Parallel and Distributed Processing Symposium (IPDPS 2004), 2004

2002

Modern protein force fields behave comparably in molecular dynamics simulations.

Daniel J. Price, Charles L. Brooks III

J. Comput. Chem., 2002

2001

Improved convergence of binding affinities with free energy perturbation: Application to nonpeptide ligands with pp60src SH2 domain.

Daniel J. Price, William L. Jorgensen

J. Comput. Aided Mol. Des., 2001