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)

Modern protein force fields behave comparably in molecular dynamics simulations. - Daniel J. Price; Charles L. Brooks III (J. Comput. Chem., 2002)

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 (IPDPS, 2004)

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)

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)

Modelling discontinuities and Kelvin-Helmholtz instabilities in SPH. - Daniel J. Price (J. Comput. Phys., 2008)

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)

Smoothed particle hydrodynamics and magnetohydrodynamics. - Daniel J. Price (J. Comput. Phys., 2012)

Constrained hyperbolic divergence cleaning for smoothed particle magnetohydrodynamics. - Terrence S. Tricco; Daniel J. Price (J. Comput. Phys., 2012)

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)

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)