| Comparison of several molecular docking programs: pose prediction and virtual screening accuracy JB Cross, DC Thompson, BK Rai, JC Baber, KY Fan, Y Hu, C Humblet Journal of chemical information and modeling 49 (6), 1455-1474, 2009 | 531 | 2009 |
| Investigation of MM-PBSA rescoring of docking poses DC Thompson, C Humblet, D Joseph-McCarthy Journal of chemical information and modeling 48 (5), 1081-1091, 2008 | 149 | 2008 |
| Lead optimization via high-throughput molecular docking. D Joseph-McCarthy, JC Baber, E Feyfant, DC Thompson, C Humblet Current opinion in drug discovery & development 10 (3), 264-274, 2007 | 106 | 2007 |
| GARD: a generally applicable replacement for RMSD JC Baber, DC Thompson, JB Cross, C Humblet Journal of Chemical Information and Modeling 49 (8), 1889-1900, 2009 | 65 | 2009 |
| CONFIRM: connecting fragments found in receptor molecules DC Thompson, R Aldrin Denny, R Nilakantan, C Humblet, ... Journal of Computer-Aided Molecular Design 22, 761-772, 2008 | 49 | 2008 |
| Electron correlation energy in confined two-electron systems CL Wilson, HE Montgomery Jr, KD Sen, DC Thompson Physics Letters A 374 (43), 4415-4419, 2010 | 45 | 2010 |
| Two interacting electrons in a spherical box: An exact diagonalization study DC Thompson, A Alavi Physical Review B 66 (23), 235118, 2002 | 45 | 2002 |
| Crowdsourcing in pharma: a strategic framework J Bentzien, R Bharadwaj, DC Thompson Drug Discovery Today 20 (7), 874-883, 2015 | 41 | 2015 |
| Quantum Mechanics/Molecular Mechanics Strategies for Docking Pose Refinement: Distinguishing between Binders and Decoys in Cytochrome c Peroxidase SK Burger, DC Thompson, PW Ayers Journal of chemical information and modeling 51 (1), 93-101, 2011 | 41 | 2011 |
| Numerical integration of exchange-correlation energies and potentials using transformed sparse grids JI Rodriguez, DC Thompson, PW Ayers, AM Köster The Journal of chemical physics 128 (22), 2008 | 39 | 2008 |
| A comparison of Hartree–Fock and exact diagonalization solutions for a model two-electron system DC Thompson, A Alavi The Journal of chemical physics 122 (12), 2005 | 33 | 2005 |
| Crowd computing: using competitive dynamics to develop and refine highly predictive models J Bentzien, I Muegge, B Hamner, DC Thompson Drug Discovery Today 18 (9-10), 472-478, 2013 | 28 | 2013 |
| Crowdsourcing and open innovation in drug discovery: recent contributions and future directions DC Thompson, J Bentzien Drug discovery today 25 (12), 2284-2293, 2020 | 23 | 2020 |
| Electron correlation in a hard spherical external potential: Wigner molecule formation and hybridization DC Thompson, A Alavi Physical Review B 69 (20), 201302, 2004 | 21 | 2004 |
| A physically motivated sparse cubature scheme with applications to molecular density-functional theory JI Rodriguez, DC Thompson, JSM Anderson, JW Thomson, PW Ayers Journal of Physics A: Mathematical and Theoretical 41 (36), 365202, 2008 | 16 | 2008 |
| Three, four and five interacting electrons in a spherical box: an exact diagonalization study extended DC Thompson, A Alavi Journal of Physics: Condensed Matter 16 (45), 7979, 2004 | 16 | 2004 |
| Free Energy Methods in Drug Discovery: Current State and Future Directions KA Armacost, DC Thompson ACS symposium series 1397, 1947-5918, 2021 | 10 | 2021 |
| An information‐theoretic approach to basis‐set fitting of electron densities and other non‐negative functions A Tehrani, JSM Anderson, D Chakraborty, JI Rodriguez‐Hernandez, ... Journal of Computational Chemistry 44 (25), 1998-2015, 2023 | 9 | 2023 |
| Thinking inside the box: Novel linear scaling algorithm for Coulomb potential evaluation DC Thompson, PW Ayers International journal of quantum chemistry 106 (4), 787-794, 2006 | 8 | 2006 |
| Quantum chemistry research Trends JSM Anderson, JI Rodriguez, DC Thompson, PW Ayers Nova: Hauppauge, NY, 2007 | 6 | 2007 |
Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityEmail verificata su chemistry.mcmaster.ca