Daniel J. Price

12 papers A 1Journal 11
YearRankTypeTitle / Venue / Authors
2025 J jnl
Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug Discovery.
J. Chem. Inf. Model.
Jeremy R. Ash, Cas Wognum, Raquel Rodríguez-Pérez, Matteo Aldeghi, Alan C. Cheng, Djork-Arné Clevert, Ola Engkvist, Cheng Fang, Daniel J. Price, Jacqueline M. Hughes-Oliver, W. Patrick Walters
2024 J jnl
A call for an industry-led initiative to critically assess machine learning for real-world drug discovery.
Nat. Mac. Intell.
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
2016 J jnl
Constrained hyperbolic divergence cleaning in smoothed particle magnetohydrodynamics with variable cleaning speeds.
J. Comput. Phys.
Terrence S. Tricco, Daniel J. Price, Matthew R. Bate
2012 J jnl
Constrained hyperbolic divergence cleaning for smoothed particle magnetohydrodynamics.
J. Comput. Phys.
Terrence S. Tricco, Daniel J. Price
2012 J jnl
MATCH: An atom-typing toolset for molecular mechanics force fields.
J. Comput. Chem.
Joseph D. Yesselman, Daniel J. Price, Jennifer L. Knight, Charles L. Brooks III
2012 J jnl
Smoothed particle hydrodynamics and magnetohydrodynamics.
J. Comput. Phys.
Daniel J. Price
2008 J jnl
Modelling discontinuities and Kelvin-Helmholtz instabilities in SPH.
J. Comput. Phys.
Daniel J. Price
2005 J jnl
Detailed considerations for a balanced and broadly applicable force field: A study of substituted benzenes modeled with OPLS-AA.
J. Comput. Chem.
Daniel J. Price, Charles L. Brooks III
2005 J jnl
Study of a highly accurate and fast protein-ligand docking method based on molecular dynamics.
Concurr. Comput. Pract. Exp.
Michela Taufer, Michael F. Crowley, Daniel J. Price, Andrew A. Chien, Charles L. Brooks III
2004 A conf
Study of a Highly Accurate and Fast Protein-Ligand Docking Algorithm Based on Molecular Dynamics.
IPDPS
Michela Taufer, Michael F. Crowley, Daniel J. Price, Andrew A. Chien, Charles L. Brooks III
2002 J jnl
Modern protein force fields behave comparably in molecular dynamics simulations.
J. Comput. Chem.
Daniel J. Price, Charles L. Brooks III
2001 J jnl
Improved convergence of binding affinities with free energy perturbation: Application to nonpeptide ligands with pp60src SH2 domain.
J. Comput. Aided Mol. Des.
Daniel J. Price, William L. Jorgensen