Daniel J. Price

12 papers A 1Journal 11

Year	Rank	Type	Title / 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